Crystallography Open Database

Result : There are 136 entries in the selection

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Searching journal of publication like 'MedChemComm'

COD ID: 7112106
CIF file Formula: - C18 H18 Br N O2 -
Comments: McCoull, William; Augustin, Martin; Blake, Caroline; Ertan, Anne; Kilgour, Elaine; Krapp, Stephan; Moore, Jane E.; Newcombe, Nicholas J.; Packer, Martin J.; Rees, Amanda; Revill, John; Scott, James S.; Selmi, Nidhal; Gerhardt, Stefan; Ogg, Derek J.; Steinbacher, Stefan; Whittamore, Paul R. O. Identification and optimisation of 3,3-dimethyl-azetidin-2-ones as potent and selective inhibitors of 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) MedChemComm 5(1) (2014) 57
Space group: P 21 21 21
Cell volume: 1661.33
Cell parameters: 5.975; 11.69; 23.785; 90; 90; 90;  

COD ID: 7112497
CIF file Formula: - C24 H34 Cu2 N2 O10 -
Comments: Arjmand, Farukh; Muddassir, Mohd; Zaidi, Yusra; Ray, Debashis Design, synthesis and crystal structure determination of dinuclear copper-based potential chemotherapeutic drug entities; in vitro DNA binding, cleavage studies and an evaluation of genotoxicity by micronucleus test and comet assay MedChemComm 4(2) (2013) 394
Space group: P 21 21 21
Cell volume: 5498
Cell parameters: 12.104; 16.437; 27.634; 90; 90; 90;  

COD ID: 7112498
CIF file Formula: - C15 H21 Cl N2 O3 -
Comments: Cojocaru, O. Andreea; Bica, Katharina; Gurau, Gabriela; Narita, Asako; McCrary, Parker D.; Shamshina, Julia L.; Barber, Patrick S.; Rogers, Robin D. Prodrug ionic liquids: functionalizing neutral active pharmaceutical ingredients to take advantage of the ionic liquid form MedChemComm 4(3) (2013) 559
Space group: P 1 21/n 1
Cell volume: 1556.14
Cell parameters: 5.4814; 15.0113; 18.9143; 90; 90.881; 90;  

COD ID: 7112499
CIF file Formula: - C22 H37 Cl N O3 P -
Comments: Cojocaru, O. Andreea; Bica, Katharina; Gurau, Gabriela; Narita, Asako; McCrary, Parker D.; Shamshina, Julia L.; Barber, Patrick S.; Rogers, Robin D. Prodrug ionic liquids: functionalizing neutral active pharmaceutical ingredients to take advantage of the ionic liquid form MedChemComm 4(3) (2013) 559
Space group: P 1 21/n 1
Cell volume: 2363.1
Cell parameters: 9.5949; 14.3513; 17.5913; 90; 102.694; 90;  

COD ID: 7112500
CIF file Formula: - C15 H14 N4 S -
Comments: Ciupa, Alexander; De Bank, Paul A.; Mahon, Mary F.; Wood, Pauline J.; Caggiano, Lorenzo Synthesis and antiproliferative activity of some 3-(pyrid-2-yl)-pyrazolines MedChemComm 4(6) (2013) 956
Space group: P 1 21/n 1
Cell volume: 1378.74
Cell parameters: 9.795; 14.728; 10.036; 90; 107.768; 90;  

COD ID: 7112501
CIF file Formula: - C24 H23 N3 O4 -
Comments: Ciupa, Alexander; De Bank, Paul A.; Mahon, Mary F.; Wood, Pauline J.; Caggiano, Lorenzo Synthesis and antiproliferative activity of some 3-(pyrid-2-yl)-pyrazolines MedChemComm 4(6) (2013) 956
Space group: P b c a
Cell volume: 4100.73
Cell parameters: 6.977; 22.095; 26.601; 90; 90; 90;  

COD ID: 7112502
CIF file Formula: - C26 H27 Au N2 O S -
Comments: Rubbiani, Riccardo; Schuh, Esther; Meyer, Andreas; Lemke, Jessika; Wimberg, Jan; Metzler-Nolte, Nils; Meyer, Franc; Mohr, Fabian; Ott, Ingo TrxR inhibition and antiproliferative activities of structurally diverse gold N-heterocyclic carbene complexes MedChemComm 4(6) (2013) 942
Space group: P -1
Cell volume: 1131.08
Cell parameters: 9.77; 9.7877; 12.2436; 88.65; 87.135; 75.316;  

COD ID: 7112503
CIF file Formula: - C13 H21 Cl2 N3 O4 -
Comments: Genest, David; Rochais, Christophe; Lecoutey, Cédric; Oliveira Santos, Jana Sopkova-de; Ballandonne, Céline; Butt-Gueulle, Sabrina; Legay, Remi; Since, Marc; Dallemagne, Patrick Design, synthesis and biological evaluation of novel indano- and thiaindano-pyrazoles with potential interest for Alzheimer's disease MedChemComm 4(6) (2013) 925
Space group: P -1
Cell volume: 857.77
Cell parameters: 7.2598; 10.0853; 12.2011; 101.01; 93.643; 100.482;  

COD ID: 7112504
CIF file Formula: - C12 H11 F3 N2 O2 S -
Comments: Genest, David; Rochais, Christophe; Lecoutey, Cédric; Oliveira Santos, Jana Sopkova-de; Ballandonne, Céline; Butt-Gueulle, Sabrina; Legay, Remi; Since, Marc; Dallemagne, Patrick Design, synthesis and biological evaluation of novel indano- and thiaindano-pyrazoles with potential interest for Alzheimer's disease MedChemComm 4(6) (2013) 925
Space group: P 1 21/c 1
Cell volume: 1349.24
Cell parameters: 6.7601; 8.9249; 22.5441; 90; 97.265; 90;  

COD ID: 7112505
CIF file Formula: - C22 H34 N O6 Si -
Comments: Wang, Jen-Tsung; Lin, Ting-Chien; Chen, Ying-Hsuan; Lin, Chun-Hung; Fang, Jim-Min Polyhydroxylated pyrrolidine and 2-oxapyrrolizidine as glycosidase inhibitors MedChemComm 4(5) (2013) 783
Space group: C 1 2 1
Cell volume: 2413.7
Cell parameters: 23.812; 6.666; 18.297; 90; 123.79; 90;  

COD ID: 7112506
CIF file Formula: - C14 H15 Cl N2 O -
Comments: Masciocchi, Daniela; Gelain, Arianna; Porta, Federica; Meneghetti, Fiorella; Pedretti, Alessandro; Celentano, Giuseppe; Barlocco, Daniela; Legnani, Laura; Toma, Lucio; Kwon, Byoung-Mog; Asai, Akira; Villa, Stefania Synthesis, structure–activity relationships and stereochemical investigations of new tricyclic pyridazinone derivatives as potential STAT3 inhibitors MedChemComm 4(8) (2013) 1181
Space group: P 21 21 21
Cell volume: 1289.3
Cell parameters: 7.929; 12.53; 12.977; 90; 90; 90;  

COD ID: 7112507
CIF file Formula: - C37 H43 Cl O17 -
Comments: Mascitti, Vincent; Thuma, Benjamin A.; Smith, Aaron C.; Robinson, Ralph P.; Brandt, Thomas; Kalgutkar, Amit S.; Maurer, Tristan S.; Samas, Brian; Sharma, Raman On the importance of synthetic organic chemistry in drug discovery: reflections on the discovery of antidiabetic agent ertugliflozin MedChemComm 4(1) (2013) 101
Space group: P 1 21 1
Cell volume: 1959.1
Cell parameters: 16.0735; 7.0772; 18.7585; 90; 113.351; 90;  

COD ID: 7112508
CIF file Formula: - C20 H24 N2 O6 -
Comments: Schmid, Fabian; Jessen, Henning J.; Burch, Patrick; Gademann, Karl Truncated militarinone fragments identified by total chemical synthesis induce neurite outgrowth MedChemComm 4(1) (2013) 135
Space group: P 1 21/n 1
Cell volume: 1969.52
Cell parameters: 12.3996; 8.7715; 18.6699; 90; 104.088; 90;  

COD ID: 7112509
CIF file Formula: - C16 H17 N O5 -
Comments: Schmid, Fabian; Jessen, Henning J.; Burch, Patrick; Gademann, Karl Truncated militarinone fragments identified by total chemical synthesis induce neurite outgrowth MedChemComm 4(1) (2013) 135
Space group: P -1
Cell volume: 731.59
Cell parameters: 7.2983; 9.2081; 12.3051; 107.988; 96.327; 107.403;  

COD ID: 7112510
CIF file Formula: - C16 H17 N O5 -
Comments: Schmid, Fabian; Jessen, Henning J.; Burch, Patrick; Gademann, Karl Truncated militarinone fragments identified by total chemical synthesis induce neurite outgrowth MedChemComm 4(1) (2013) 135
Space group: P 1 21/c 1
Cell volume: 1469.47
Cell parameters: 11.3216; 7.0251; 18.4969; 90; 92.747; 90;  

COD ID: 7112511
CIF file Formula: - C25 H25 F3 N4 O6 -
Comments: Plowright, Alleyn T.; Barton, Peter; Bennett, Stuart; Birch, Alan M.; Birtles, Susan; Buckett, Linda K.; Butlin, Roger J.; Davies, Robert D. M.; Ertan, Anne; Gutierrez, Pablo Morentin; Kemmitt, Paul D.; Leach, Andrew G.; Svensson, Per H.; Turnbull, Andrew V.; Waring, Michael J. Design and synthesis of a novel series of cyclohexyloxy-pyridyl derivatives as inhibitors of diacylglycerol acyl transferase 1 MedChemComm 4(1) (2013) 151
Space group: P -1
Cell volume: 1225.2
Cell parameters: 5.1885; 11.4587; 21.469; 75.373; 86.058; 83.124;  

COD ID: 7112512
CIF file Formula: - C21 H17 F4 N5 O5 -
Comments: Plowright, Alleyn T.; Barton, Peter; Bennett, Stuart; Birch, Alan M.; Birtles, Susan; Buckett, Linda K.; Butlin, Roger J.; Davies, Robert D. M.; Ertan, Anne; Gutierrez, Pablo Morentin; Kemmitt, Paul D.; Leach, Andrew G.; Svensson, Per H.; Turnbull, Andrew V.; Waring, Michael J. Design and synthesis of a novel series of cyclohexyloxy-pyridyl derivatives as inhibitors of diacylglycerol acyl transferase 1 MedChemComm 4(1) (2013) 151
Space group: C 1 2/c 1
Cell volume: 4301.4
Cell parameters: 29.7773; 6.32; 23.2587; 90; 100.671; 90;  

COD ID: 7112513
CIF file Formula: - C20 H22 N6 O4 -
Comments: Scott, James S.; Birch, Alan M.; Brocklehurst, Katy J.; Brown, Hayley S.; Goldberg, Kristin; Groombridge, Sam D.; Hudson, Julian A.; Leach, Andrew G.; MacFaul, Philip A.; McKerrecher, Darren; Poultney, Ruth; Schofield, Paul; Svensson, Per H. Optimisation of aqueous solubility in a series of G protein coupled receptor 119 (GPR119) agonists MedChemComm 4(1) (2013) 95
Space group: P -1
Cell volume: 968.2
Cell parameters: 5.2885; 11.2227; 16.881; 85.165; 83.895; 76.853;  

COD ID: 7112563
CIF file Formula: - C19 H17 N3 O3 -
Comments: Ongarora, Benson G.; Hu, Xiaoke; Li, Hairong; Fronczek, Frank R.; Vicente, M Graça H Syntheses and properties of trimethylaminophenoxy-substituted Zn((II))-phthalocyanines. MedChemComm 3(2) (2012) 179-194
Space group: P 1 21/c 1
Cell volume: 1742.4
Cell parameters: 16.266; 11.114; 9.8401; 90; 101.629; 90;  

COD ID: 7112564
CIF file Formula: - C19 H17 N3 O3 -
Comments: Ongarora, Benson G.; Hu, Xiaoke; Li, Hairong; Fronczek, Frank R.; Vicente, M Graça H Syntheses and properties of trimethylaminophenoxy-substituted Zn((II))-phthalocyanines. MedChemComm 3(2) (2012) 179-194
Space group: P c a 21
Cell volume: 1757
Cell parameters: 10.139; 8.597; 20.157; 90; 90; 90;  

COD ID: 7112565
CIF file Formula: - C30 H30 N4 O6 -
Comments: Ongarora, Benson G.; Hu, Xiaoke; Li, Hairong; Fronczek, Frank R.; Vicente, M Graça H Syntheses and properties of trimethylaminophenoxy-substituted Zn((II))-phthalocyanines. MedChemComm 3(2) (2012) 179-194
Space group: P -1
Cell volume: 1409.38
Cell parameters: 10.0348; 12.0728; 13.3158; 110.46; 102.622; 101.132;  

COD ID: 7112566
CIF file Formula: - C30.4 H18.8 Cl4.8 N4 O2 -
Comments: Ongarora, Benson G.; Hu, Xiaoke; Li, Hairong; Fronczek, Frank R.; Vicente, M Graça H Syntheses and properties of trimethylaminophenoxy-substituted Zn((II))-phthalocyanines. MedChemComm 3(2) (2012) 179-194
Space group: P -1
Cell volume: 1423.75
Cell parameters: 8.9371; 10.3208; 16.1899; 77.863; 81.983; 78.622;  

COD ID: 7112567
CIF file Formula: - C49 H63 Cl N2 O6 Zn -
Comments: Pucci, Daniela; Bellini, Tommaso; Crispini, Alessandra; D'Agnano, Igea; Liguori, Paola F.; Garcia-Orduña, Pilar; Pirillo, Sante; Valentini, Alessandra; Zanchetta, Giuliano DNA binding and cytotoxicity of fluorescent curcumin-based Zn(ii) complexes MedChemComm 3(4) (2012) 462
Space group: P -1
Cell volume: 2312.4
Cell parameters: 9.608; 14.966; 17.648; 112.645; 98.126; 90.686;  

COD ID: 7112568
CIF file Formula: - C13 H21 B F3 P -
Comments: Li, Zibo; Chansaenpak, Kantapat; Liu, Shuanglong; Wade, Casey R.; Conti, Peter S.; Gabbaï, François P. Harvesting 18F-fluoride ions in water via direct 18F–19F isotopic exchange: radiofluorination of zwitterionic aryltrifluoroborates and in vivo stability studies MedChemComm 3(10) (2012) 1305
Space group: P n a 21
Cell volume: 1446.3
Cell parameters: 11.372; 11.428; 11.129; 90; 90; 90;  

COD ID: 7112569
CIF file Formula: - C21 H19 B F3 O2 P -
Comments: Li, Zibo; Chansaenpak, Kantapat; Liu, Shuanglong; Wade, Casey R.; Conti, Peter S.; Gabbaï, François P. Harvesting 18F-fluoride ions in water via direct 18F–19F isotopic exchange: radiofluorination of zwitterionic aryltrifluoroborates and in vivo stability studies MedChemComm 3(10) (2012) 1305
Space group: P 1 21/c 1
Cell volume: 1941
Cell parameters: 9.163; 12.426; 17.335; 90; 100.483; 90;  

COD ID: 7112570
CIF file Formula: - C25 H28 O5 -
Comments: Venkatesham, A.; Rao, R. Srinivasa; Nagaiah, K.; Yadav, J. S.; RoopaJones, G.; Basha, S. J.; Sridhar, B.; Addlagatta, A. Synthesis of new chromeno-annulated cis-fused pyrano[3,4-c]pyran derivatives via domino Knoevenagel–hetero-Diels–Alder reactions and their biological evaluation towards antiproliferative activity MedChemComm 3(6) (2012) 652
Space group: P 1 21/c 1
Cell volume: 2165.5
Cell parameters: 11.7974; 13.942; 13.4238; 90; 101.254; 90;  

COD ID: 7112571
CIF file Formula: - C22 H22 O5 -
Comments: Venkatesham, A.; Rao, R. Srinivasa; Nagaiah, K.; Yadav, J. S.; RoopaJones, G.; Basha, S. J.; Sridhar, B.; Addlagatta, A. Synthesis of new chromeno-annulated cis-fused pyrano[3,4-c]pyran derivatives via domino Knoevenagel–hetero-Diels–Alder reactions and their biological evaluation towards antiproliferative activity MedChemComm 3(6) (2012) 652
Space group: P 1 21/n 1
Cell volume: 1795.3
Cell parameters: 15.4539; 7.4613; 16.2148; 90; 106.214; 90;  

COD ID: 7112572
CIF file Formula: - C28 H28 N2 O2 -
Comments: Mahesh Kumar, P.; Siva Kumar, K.; Meda, Chandana L. T.; Rajeshwar Reddy, G.; Mohakhud, Pradeep K.; Mukkanti, K.; Rama Krishna, G.; Malla Reddy, C.; Rambabu, D.; Shiva Kumar, K.; Krishna Priya, K.; Chennubhotla, Keerthana Sarma; Banote, Rakesh Kumar; Kulkarni, Pushkar; Parsa, Kishore V. L.; Pal, Manojit (Pd/C-mediated)coupling‒iodocyclization‒coupling strategy in discovery of novel PDE4 inhibitors: a new synthesis of pyrazolopyrimidines MedChemComm 3(6) (2012) 667
Space group: P 1 21/c 1
Cell volume: 2423.6
Cell parameters: 15.248; 12.5719; 14.0243; 90; 115.645; 90;  

COD ID: 7112573
CIF file Formula: - C22 H19 I N2 O2 -
Comments: Mahesh Kumar, P.; Siva Kumar, K.; Meda, Chandana L. T.; Rajeshwar Reddy, G.; Mohakhud, Pradeep K.; Mukkanti, K.; Rama Krishna, G.; Malla Reddy, C.; Rambabu, D.; Shiva Kumar, K.; Krishna Priya, K.; Chennubhotla, Keerthana Sarma; Banote, Rakesh Kumar; Kulkarni, Pushkar; Parsa, Kishore V. L.; Pal, Manojit (Pd/C-mediated)coupling‒iodocyclization‒coupling strategy in discovery of novel PDE4 inhibitors: a new synthesis of pyrazolopyrimidines MedChemComm 3(6) (2012) 667
Space group: P 1 21/c 1
Cell volume: 1861.53
Cell parameters: 7.3912; 12.3586; 20.4375; 90; 94.331; 90;  

COD ID: 7112574
CIF file Formula: - C21 H23 N8 O2 -
Comments: Goldberg, Kristin; Groombridge, Sam; Hudson, Julian; Leach, Andrew G.; MacFaul, Philip A.; Pickup, Adrian; Poultney, Ruth; Scott, James S.; Svensson, Per H.; Sweeney, Joseph Oxadiazole isomers: all bioisosteres are not created equal MedChemComm 3(5) (2012) 600
Space group: P -1
Cell volume: 1052.76
Cell parameters: 9.1873; 10.2806; 11.8644; 94.876; 103.767; 102.245;  

COD ID: 7112575
CIF file Formula: - C19 H18 F2 N8 O2 -
Comments: Goldberg, Kristin; Groombridge, Sam; Hudson, Julian; Leach, Andrew G.; MacFaul, Philip A.; Pickup, Adrian; Poultney, Ruth; Scott, James S.; Svensson, Per H.; Sweeney, Joseph Oxadiazole isomers: all bioisosteres are not created equal MedChemComm 3(5) (2012) 600
Space group: P 21 21 21
Cell volume: 1947.6
Cell parameters: 6.8535; 11.759; 24.167; 90; 90; 90;  

COD ID: 7112576
CIF file Formula: - C23 H25 N3 O2 S -
Comments: Lecoutey, Cédric; Rochais, Christophe; Genest, David; Butt-Gueulle, Sabrina; Ballandonne, Céline; Corvaisier, Sophie; Dulin, Fabienne; Lepailleur, Alban; Sopkova-de Oliveira Santos, Jana; Dallemagne, Patrick Synthesis of dual AChE/5-HT4 receptor multi-target directed ligands MedChemComm 3(5) (2012) 627
Space group: P 1 21/c 1
Cell volume: 2024.69
Cell parameters: 18.4455; 5.8641; 20.5004; 90; 114.067; 90;  

COD ID: 7112577
CIF file Formula: - C16 H9 Cl F3 N3 O2 -
Comments: Masciocchi, Daniela; Villa, Stefania; Meneghetti, Fiorella; Pedretti, Alessandro; Barlocco, Daniela; Legnani, Laura; Toma, Lucio; Kwon, Byoung-Mog; Nakano, Shintaro; Asai, Akira; Gelain, Arianna Biological and computational evaluation of an oxadiazole derivative (MD77) as a new lead for direct STAT3 inhibitors MedChemComm 3(5) (2012) 592
Space group: P 1 c 1
Cell volume: 784.9
Cell parameters: 11.115; 5.008; 14.112; 90; 92.28; 90;  

COD ID: 7112578
CIF file Formula: - C29 H32 Cr O5 -
Comments: Saiai, Aroonchai; Bielig, Harald; Velder, Janna; Neudörfl, Jörg-Martin; Menning, Maureen; Kufer, Thomas A.; Schmalz, Hans-Günther Hydrophenalene‒Cr(CO)3 complexes as anti-inflammatory agents based on specific inhibition of NOD2 signalling: a SAR study MedChemComm 3(11) (2012) 1377
Space group: P 1 21/c 1
Cell volume: 2501
Cell parameters: 9.8549; 15.641; 16.5024; 90; 100.507; 90;  

COD ID: 7112579
CIF file Formula: - C29 H31 Cr F O5 -
Comments: Saiai, Aroonchai; Bielig, Harald; Velder, Janna; Neudörfl, Jörg-Martin; Menning, Maureen; Kufer, Thomas A.; Schmalz, Hans-Günther Hydrophenalene‒Cr(CO)3 complexes as anti-inflammatory agents based on specific inhibition of NOD2 signalling: a SAR study MedChemComm 3(11) (2012) 1377
Space group: P -1
Cell volume: 1276.66
Cell parameters: 7.9722; 12.8619; 13.5661; 68.848; 81.683; 81.459;  

COD ID: 7112580
CIF file Formula: - C30 H34 Cr O5 -
Comments: Saiai, Aroonchai; Bielig, Harald; Velder, Janna; Neudörfl, Jörg-Martin; Menning, Maureen; Kufer, Thomas A.; Schmalz, Hans-Günther Hydrophenalene‒Cr(CO)3 complexes as anti-inflammatory agents based on specific inhibition of NOD2 signalling: a SAR study MedChemComm 3(11) (2012) 1377
Space group: P -1
Cell volume: 1296.78
Cell parameters: 8.9498; 11.2208; 13.8926; 90.023; 106.008; 104.171;  

COD ID: 7112581
CIF file Formula: - C30 H31 Cr F3 O5 -
Comments: Saiai, Aroonchai; Bielig, Harald; Velder, Janna; Neudörfl, Jörg-Martin; Menning, Maureen; Kufer, Thomas A.; Schmalz, Hans-Günther Hydrophenalene‒Cr(CO)3 complexes as anti-inflammatory agents based on specific inhibition of NOD2 signalling: a SAR study MedChemComm 3(11) (2012) 1377
Space group: F d d 2
Cell volume: 11028.4
Cell parameters: 32.4358; 34.6; 9.8268; 90; 90; 90;  

COD ID: 7112582
CIF file Formula: - C19 H11 Br Cl2 N2 O4 S -
Comments: Ali, Sher; Saeed, Aamer; Abbas, Naeem; Shahid, Mohammad; Bolte, Michael; Iqbal, Jamshed Design, synthesis and molecular modelling of novel methyl[4-oxo-2-(aroylimino)-3-(substituted phenyl)thiazolidin-5-ylidene]acetates as potent and selective aldose reductase inhibitors MedChemComm 3(11) (2012) 1428
Space group: P -1
Cell volume: 1003.34
Cell parameters: 9.2497; 10.8904; 11.0733; 84.708; 73.497; 69.745;  

COD ID: 7112583
CIF file Formula: - C12 H10 O2 S2 -
Comments: Luo, Yi; Li, Xiaoling; Chen, Tianfeng; Wang, Yi; Zheng, Wenjie Synthesis of a novel thiophene derivative that induces cancer cell apoptosis through modulation of AKT and MAPK pathways MedChemComm 3(9) (2012) 1143
Space group: P 1 21/n 1
Cell volume: 573.66
Cell parameters: 5.6345; 6.2244; 16.3779; 90; 92.902; 90;  

COD ID: 7112584
CIF file Formula: - C21 H27 Fe N3 O2 -
Comments: Spencer, John; Amin, Jahangir; Boddiboyena, Ramesh; Packham, Graham; Cavell, Breeze E.; Syed Alwi, Sharifah S.; Paranal, Ronald M.; Heightman, Tom D.; Wang, Minghua; Marsden, Brian; Coxhead, Peter; Guille, Matthew; Tizzard, Graham J.; Coles, Simon J.; Bradner., James E. Click JAHAs: conformationally restricted ferrocene-based histone deacetylase inhibitors MedChemComm 3(1) (2012) 61
Space group: C 1 2/c 1
Cell volume: 3975.2
Cell parameters: 51.309; 7.2426; 10.7246; 90; 94.098; 90;  

COD ID: 7112721
CIF file Formula: - C5 H12 Cl2 N2 O Pt -
Comments: Yadav, Paras N.; Beveridge, Ramsay E.; Blay, Jonathan; Boyd, Alaina R.; Chojnacka, Maja W.; Decken, Andreas; Deshpande, Ankur A.; Gardiner, Michael G.; Hambley, Trevor W.; Hughes, Michael J.; Jolly, Leslie; Lavangie, Jacquelyn A.; MacInnis, Timothy D.; McFarland, Sherri A.; New, Elizabeth J.; Gossage, Robert A. Platinum-oxazoline complexes as anti-cancer agents: syntheses, characterisation and initial biological studies MedChemComm 2(4) (2011) 274
Space group: C 1 2/c 1
Cell volume: 1954.8
Cell parameters: 18.9236; 10.8634; 11.9925; 90; 127.54; 90;  

COD ID: 7112722
CIF file Formula: - C11 H14 Cl2 N2 O Pt -
Comments: Yadav, Paras N.; Beveridge, Ramsay E.; Blay, Jonathan; Boyd, Alaina R.; Chojnacka, Maja W.; Decken, Andreas; Deshpande, Ankur A.; Gardiner, Michael G.; Hambley, Trevor W.; Hughes, Michael J.; Jolly, Leslie; Lavangie, Jacquelyn A.; MacInnis, Timothy D.; McFarland, Sherri A.; New, Elizabeth J.; Gossage, Robert A. Platinum-oxazoline complexes as anti-cancer agents: syntheses, characterisation and initial biological studies MedChemComm 2(4) (2011) 274
Space group: P 1 21/n 1
Cell volume: 1300.6
Cell parameters: 6.525; 11.816; 17.129; 90; 99.99; 90;  

COD ID: 7112723
CIF file Formula: - C29 H24 N2 O2 S -
Comments: Medda, Federico; Joseph, Thomas L.; Pirrie, Lisa; Higgins, Maureen; Slawin, Alexandra M. Z.; Lain, Sonia; Verma, Chandra; Westwood, Nicholas J. N1-Benzyl substituted cambinol analogues as isozyme selective inhibitors of the sirtuin family of protein deacetylases MedChemComm 2(7) (2011) 611
Space group: P -1
Cell volume: 1168.2
Cell parameters: 10.002; 10.64; 12.1261; 78.2; 67.7; 87.07;  

COD ID: 7112724
CIF file Formula: - C22 H23 N3 O5 -
Comments: Rajesh, Stephen Michael; Perumal, Subbu; Menéndez, J. Carlos; Yogeeswari, Perumal; Sriram, Dharmarajan Antimycobacterial activity of spirooxindolo-pyrrolidine, pyrrolizine and pyrrolothiazole hybrids obtained by a three-component regio- and stereoselective 1,3-dipolar cycloaddition MedChemComm 2(7) (2011) 626
Space group: P 1 21/a 1
Cell volume: 1993.2
Cell parameters: 9.676; 14.4; 14.309; 90; 91.333; 90;  

COD ID: 7112725
CIF file Formula: - C24 H21 N3 O4 -
Comments: Rajesh, Stephen Michael; Perumal, Subbu; Menéndez, J. Carlos; Yogeeswari, Perumal; Sriram, Dharmarajan Antimycobacterial activity of spirooxindolo-pyrrolidine, pyrrolizine and pyrrolothiazole hybrids obtained by a three-component regio- and stereoselective 1,3-dipolar cycloaddition MedChemComm 2(7) (2011) 626
Space group: I 1 2/a 1
Cell volume: 4089
Cell parameters: 17.888; 11.26; 21.426; 90; 108.65; 90;  

COD ID: 7112726
CIF file Formula: - C23 H19 N3 O3 -
Comments: Rajesh, Stephen Michael; Perumal, Subbu; Menéndez, J. Carlos; Yogeeswari, Perumal; Sriram, Dharmarajan Antimycobacterial activity of spirooxindolo-pyrrolidine, pyrrolizine and pyrrolothiazole hybrids obtained by a three-component regio- and stereoselective 1,3-dipolar cycloaddition MedChemComm 2(7) (2011) 626
Space group: P -1
Cell volume: 976.5
Cell parameters: 7.681; 11.655; 12.824; 64.68; 76.11; 71.43;  

COD ID: 7112727
CIF file Formula: - C18 H14 F6 N2 O4 S2 -
Comments: Nakhi, Ali; Prasad, Bagineni; Reddy, Uppender; Rao, Raja Mohan; Sandra, Sandhya; Kapavarapu, Ravikumar; Rambabu, D.; Rama Krishna, G.; Reddy, C. Malla; Ravada, Kishore; Misra, Parimal; Iqbal, Javed; Pal, Manojit A new route to indoles via in situ desilylation–Sonogashira strategy: identification of novel small molecules as potential anti-tuberculosis agents MedChemComm 2(10) (2011) 1006
Space group: P 1 n 1
Cell volume: 2088.9
Cell parameters: 9.917; 14.232; 14.838; 90; 94.095; 90;  

COD ID: 7112728
CIF file Formula: - C25 H24 N2 O5 S2 -
Comments: Nakhi, Ali; Prasad, Bagineni; Reddy, Uppender; Rao, Raja Mohan; Sandra, Sandhya; Kapavarapu, Ravikumar; Rambabu, D.; Rama Krishna, G.; Reddy, C. Malla; Ravada, Kishore; Misra, Parimal; Iqbal, Javed; Pal, Manojit A new route to indoles via in situ desilylation–Sonogashira strategy: identification of novel small molecules as potential anti-tuberculosis agents MedChemComm 2(10) (2011) 1006
Space group: P -1
Cell volume: 1237
Cell parameters: 8.2712; 12.0103; 13.3107; 98.59; 91.371; 108.406;  

COD ID: 7112729
CIF file Formula: - C26 H34 O8 -
Comments: Prevatt-Smith, Katherine M; Lovell, Kimberly M.; Simpson, Denise S.; Day, Victor W.; Douglas, Justin T.; Bosch, Peter; Dersch, Christina M.; Rothman, Richard B.; Kivell, Bronwyn; Prisinzano, Thomas E. Potential Drug Abuse Therapeutics Derived from the Hallucinogenic Natural Product Salvinorin A. MedChemComm 2(12) (2011) 1217-1222
Space group: P 21 21 21
Cell volume: 2499.4
Cell parameters: 6.1944; 11.2496; 35.8673; 90; 90; 90;  

COD ID: 7112730
CIF file Formula: - C18 H20 N2 O5 -
Comments: Lou, Chenguang; Xiao, Qiang; Tailor, Radha R.; Ben Gaied, Nouha; Gale, Nittaya; Light, Mark E.; Fox, Keith R.; Brown, Tom 2′-Substituted 2-amino-3-methylpyridine ribonucleosides in triplex-forming oligonucleotides: triplex stability is determined by chemical environment MedChemComm 2(6) (2011) 550
Space group: P 1 21 1
Cell volume: 844.42
Cell parameters: 10.1283; 8.5022; 11.0211; 90; 117.159; 90;  

COD ID: 7112731
CIF file Formula: - C12 H18 N2 O4 -
Comments: Lou, Chenguang; Xiao, Qiang; Tailor, Radha R.; Ben Gaied, Nouha; Gale, Nittaya; Light, Mark E.; Fox, Keith R.; Brown, Tom 2′-Substituted 2-amino-3-methylpyridine ribonucleosides in triplex-forming oligonucleotides: triplex stability is determined by chemical environment MedChemComm 2(6) (2011) 550
Space group: R 3 :H
Cell volume: 2800.11
Cell parameters: 25.4843; 25.4843; 4.9785; 90; 90; 120;  

COD ID: 7112732
CIF file Formula: - C19 H15 N3 O4 -
Comments: Yeung, Sing Yee; Kampmann, Sven; Stubbs, Keith A.; Skelton, Brian W.; Kaskow, Belinda J.; Abraham, Lawrence J.; Stewart, Scott G. Novel thalidomide analogues with potent NFκB and TNF expression inhibition MedChemComm 2(11) (2011) 1073
Space group: P -1
Cell volume: 3188.9
Cell parameters: 14.0273; 16.0539; 16.2753; 63.344; 78.108; 79.6;  

COD ID: 7112733
CIF file Formula: - C19 H15 N3 O4 -
Comments: Yeung, Sing Yee; Kampmann, Sven; Stubbs, Keith A.; Skelton, Brian W.; Kaskow, Belinda J.; Abraham, Lawrence J.; Stewart, Scott G. Novel thalidomide analogues with potent NFκB and TNF expression inhibition MedChemComm 2(11) (2011) 1073
Space group: P 1 21/c 1
Cell volume: 1625.26
Cell parameters: 8.0529; 16.038; 12.8344; 90; 101.335; 90;  

COD ID: 7112734
CIF file Formula: - C19 H26 N2 O4 -
Comments: Öhrngren, Per; Wu, Xiongyu; Persson, Magnus; Ekegren, Jenny K.; Wallberg, Hans; Vrang, Lotta; Rosenquist, Åsa; Samuelsson, Bertil; Unge, Torsten; Larhed, Mats HIV-1 protease inhibitors with a tertiary alcohol containing transition-state mimic and various P2 and P1′ substituents MedChemComm 2(8) (2011) 701
Space group: P 21 21 21
Cell volume: 1928.4
Cell parameters: 9.8793; 11.1873; 17.448; 90; 90; 90;  

COD ID: 7112735
CIF file Formula: - C14 H26 Cl2 N2 O3 Pt S2 -
Comments: Alemán, José; del Solar, Virginia; Alvarez-Valdés, Amparo; Ríos-Luci, Carla; Padrón, José M.; Navarro-Ranninger, Carmen Novel N-sulfonamide trans-platinum complexes: synthesis, reactivity and in vitro evaluation MedChemComm 2(8) (2011) 789
Space group: P -1
Cell volume: 994.56
Cell parameters: 7.9973; 10.8873; 11.5879; 95.196; 98.091; 90.511;  

COD ID: 7112736
CIF file Formula: - C10 H14 O3 -
Comments: Gundluru, Mahesh Kumar; Pourpak, Alan; Cui, Xiaoli; Morris, Stephan W.; Webb, Thomas R. Design, synthesis and initial biological evaluation of a novel pladienolide analog scaffold. MedChemComm 2(9) (2011) 904-908
Space group: P b c a
Cell volume: 1830.54
Cell parameters: 9.4612; 13.0067; 14.8753; 90; 90; 90;  

COD ID: 7113086
CIF file Formula: - C16 H10 Cl F3 N4 O2 -
Comments: Shin, Dae-Seop; Masciocchi, Daniela; Gelain, Arianna; Villa, Stefania; Barlocco, Daniela; Meneghetti, Fiorella; Pedretti, Alessandro; Han, Young-Min; Han, Dong Cho; Kwon, Byoung-Mog; Legnani, Laura; Toma, Lucio Synthesis, modeling, and crystallographic study of 3,4-disubstituted-1,2,5-oxadiazoles and evaluation of their ability to decrease STAT3 activity MedChemComm 1(2) (2010) 156
Space group: P 1 21/a 1
Cell volume: 1605
Cell parameters: 9.064; 14.5; 12.384; 90; 99.57; 90;  

COD ID: 7113087
CIF file Formula: - C11 H11 N3 O2 -
Comments: Shin, Dae-Seop; Masciocchi, Daniela; Gelain, Arianna; Villa, Stefania; Barlocco, Daniela; Meneghetti, Fiorella; Pedretti, Alessandro; Han, Young-Min; Han, Dong Cho; Kwon, Byoung-Mog; Legnani, Laura; Toma, Lucio Synthesis, modeling, and crystallographic study of 3,4-disubstituted-1,2,5-oxadiazoles and evaluation of their ability to decrease STAT3 activity MedChemComm 1(2) (2010) 156
Space group: P 1 21/n 1
Cell volume: 1104.7
Cell parameters: 6.619; 20.54; 8.364; 90; 103.72; 90;  

COD ID: 7113088
CIF file Formula: - C10 H11 N3 O3 S -
Comments: Shin, Dae-Seop; Masciocchi, Daniela; Gelain, Arianna; Villa, Stefania; Barlocco, Daniela; Meneghetti, Fiorella; Pedretti, Alessandro; Han, Young-Min; Han, Dong Cho; Kwon, Byoung-Mog; Legnani, Laura; Toma, Lucio Synthesis, modeling, and crystallographic study of 3,4-disubstituted-1,2,5-oxadiazoles and evaluation of their ability to decrease STAT3 activity MedChemComm 1(2) (2010) 156
Space group: P -1
Cell volume: 559.8
Cell parameters: 5.589; 10.096; 10.981; 70.085; 86.169; 74.027;  

COD ID: 7113089
CIF file Formula: - C26 H22 Fe -
Comments: Görmen, Meral; Pigeon, Pascal; Top, Siden; Vessières, Anne; Plamont, Marie-Aude; Hillard, Elizabeth A.; Jaouen, Gérard Facile synthesis and strong antiproliferative activity of disubstituted diphenylmethylidenyl-[3]ferrocenophanes on breast and prostate cancer cell lines MedChemComm 1(2) (2010) 149
Space group: F 2 d d
Cell volume: 7606.9
Cell parameters: 5.8601; 31.829; 40.783; 90; 90; 90;  

COD ID: 7113090
CIF file Formula: - C30 H28 Fe N2 O2 -
Comments: Görmen, Meral; Pigeon, Pascal; Top, Siden; Vessières, Anne; Plamont, Marie-Aude; Hillard, Elizabeth A.; Jaouen, Gérard Facile synthesis and strong antiproliferative activity of disubstituted diphenylmethylidenyl-[3]ferrocenophanes on breast and prostate cancer cell lines MedChemComm 1(2) (2010) 149
Space group: P 1 21 1
Cell volume: 1295.2
Cell parameters: 5.8841; 19.872; 11.1212; 90; 95.141; 90;  

COD ID: 7113091
CIF file Formula: - C12 H12 Cl3 F N4 O3 S -
Comments: Palmer, Rex A.; Potter, Brian S.; Leach, Michael J.; Jenkins, Terence C.; Chowdhry, Babur Z. An absolute structure template for a unique voltage-gated sodium channel binding site MedChemComm 1(1) (2010) 45
Space group: P 1 21 1
Cell volume: 1723.2
Cell parameters: 8.384; 16.984; 12.48; 90; 104.14; 90;  

COD ID: 7113092
CIF file Formula: - C12 H12 Cl3 F N4 O3 S -
Comments: Palmer, Rex A.; Potter, Brian S.; Leach, Michael J.; Jenkins, Terence C.; Chowdhry, Babur Z. An absolute structure template for a unique voltage-gated sodium channel binding site MedChemComm 1(1) (2010) 45
Space group: P 1
Cell volume: 829.2
Cell parameters: 7.716; 8.12; 13.719; 74.91; 87.69; 89.83;  

COD ID: 7113096
CIF file Formula: - C26 H19 F4 N O3 S -
Comments: Thakur, Anuj; Manohar, Sunny; Vélez Gerena, Christian E.; Zayas, Beatriz; Kumar, Vineet; Malhotra, Sanjay V.; Rawat, Diwan S. Novel 3,5-bis(arylidiene)-4-piperidone based monocarbonyl analogs of curcumin: anticancer activity evaluation and mode of action study MedChemComm 5(5) (2014) 576
Space group: P -1
Cell volume: 1158.28
Cell parameters: 8.7795; 11.4369; 12.4788; 102.414; 100.722; 102.556;  

COD ID: 7113097
CIF file Formula: - C26 H27 Cl2 N4 O4 Ru -
Comments: Fan, Cundong; Wu, Qiong; Chen, Tianfeng; Zhang, Yibo; Zheng, Wenjie; Wang, Qi; Mei, Wenjie Arene ruthenium(ii) complexes induce S-phase arrest in MG-63 cells through stabilization of c-Myc G-quadruplex DNA MedChemComm 5(5) (2014) 597
Space group: P 1 21/n 1
Cell volume: 2653.1
Cell parameters: 16.2535; 7.7798; 22.0549; 90; 107.949; 90;  

COD ID: 7113299
CIF file Formula: - C13 H23 N5 O -
Comments: Boltjes, André; Liao, George P.; Zhao, Ting; Herdtweck, Eberhardt; Dömling, Alexander Ugi 4-CR Synthesis of γ- and δ-Lactams providing new access to diverse enzyme interactions, a PDB analysis. MedChemComm 5(7) (2014) 949-952
Space group: P 1 21/c 1
Cell volume: 1430.93
Cell parameters: 9.0724; 11.4713; 13.9904; 90; 100.651; 90;  

COD ID: 7113300
CIF file Formula: - C11 H17 N5 O -
Comments: Boltjes, André; Liao, George P.; Zhao, Ting; Herdtweck, Eberhardt; Dömling, Alexander Ugi 4-CR Synthesis of γ- and δ-Lactams providing new access to diverse enzyme interactions, a PDB analysis. MedChemComm 5(7) (2014) 949-952
Space group: P -1
Cell volume: 576.41
Cell parameters: 6.5462; 9.257; 10.5529; 65.9412; 81.5752; 89.9391;  

COD ID: 7113301
CIF file Formula: - C10 H18 N5 O1.5 -
Comments: Boltjes, André; Liao, George P.; Zhao, Ting; Herdtweck, Eberhardt; Dömling, Alexander Ugi 4-CR Synthesis of γ- and δ-Lactams providing new access to diverse enzyme interactions, a PDB analysis. MedChemComm 5(7) (2014) 949-952
Space group: C 1 2/c 1
Cell volume: 2440.37
Cell parameters: 26.6036; 6.3028; 15.4666; 90; 109.781; 90;  

COD ID: 7113302
CIF file Formula: - C12 H19 N5 O -
Comments: Boltjes, André; Liao, George P.; Zhao, Ting; Herdtweck, Eberhardt; Dömling, Alexander Ugi 4-CR Synthesis of γ- and δ-Lactams providing new access to diverse enzyme interactions, a PDB analysis. MedChemComm 5(7) (2014) 949-952
Space group: P b c a
Cell volume: 2548.34
Cell parameters: 9.9162; 11.9389; 21.5252; 90; 90; 90;  

COD ID: 7113303
CIF file Formula: - C19 H17 Cl N2 O2 -
Comments: Humphrey, John M.; Yang, Eddie; Ende, Christopher W. am; Arnold, Eric P.; Head, Jenna L.; Jenkinson, Stephen; Lebel, Lorraine A.; Liras, Spiros; Pandit, Jayvardhan; Samas, Brian; Vajdos, Felix; Simons, Samuel P.; Evdokimov, Artem; Mansour, Mahmoud; Menniti, Frank S. Small-molecule phosphodiesterase probes: discovery of potent and selective CNS-penetrable quinazoline inhibitors of PDE1 MedChemComm 5(9) (2014) 1290
Space group: P 1 21 1
Cell volume: 1715.41
Cell parameters: 7.3534; 25.5994; 9.1479; 90; 95.024; 90;  

COD ID: 7115261
CIF file Formula: - C11 H12 N4 O7 S -
Comments: Li, Jing; Lowary, Todd L. Sulfonium ions as inhibitors of the mycobacterial galactofuranosyltransferase GlfT2 MedChemComm 5(8) (2014) 1130
Space group: P 1
Cell volume: 710.91
Cell parameters: 6.0562; 8.3474; 14.3363; 80.2127; 88.9452; 84.4944;  

COD ID: 7119028
CIF file Formula: - C19 H19 F6 N O4 -
Comments: Li, Yu; Xia, Guiquan; Guo, Qi; Wu, Li; Chen, Shizhen; Yang, Zhigang; Wang, Wei; Zhang, Zhong-Yin; Zhou, Xin; Jiang, Zhong-Xing Design, synthesis and evaluation of novel (19)F magnetic resonance sensitive protein tyrosine phosphatase inhibitors. MedChemComm 7(8) (2016) 1672-1680
Space group: P -1
Cell volume: 964.6
Cell parameters: 7.7617; 9.9794; 13.124; 101.841; 100.386; 97.192;  

COD ID: 7120919
CIF file Formula: - C36 H33 N8 Ni O10 -
Comments: Yang, Jing-Mei; Zhu, Yan-Hong; Chen, Sheng; Lu, Xing; Wu, Yi-Ming; Ma, Feng-E; Li, Liang-Ping; Yang, Yang; Shi, Zhen-Hao; Huang, Kun-Yuan; Hong, Xue; Jiang, Ping; Peng, Yan A β-carboline derivative-based nickel(ii) complex as a potential antitumor agent: synthesis, characterization, and cytotoxicity. MedChemComm 9(1) (2018) 100-107
Space group: I 1 a 1
Cell volume: 7173.2
Cell parameters: 17.435; 19.1274; 22.985; 90; 110.64; 90;  

COD ID: 7121054
CIF file Formula: - C21 H18 Cl Cu N4 O S -
Comments: Hu, Jiyong; Liao, Chunli; Mao, Ruina; Zhang, Junshuai; Zhao, Jin'an; Gu, Zhenzhen DNA interactions and <i>in vitro</i> anticancer evaluations of pyridine-benzimidazole-based Cu complexes. MedChemComm 9(2) (2018) 337-343
Space group: P -1
Cell volume: 1005.13
Cell parameters: 9.4142; 10.2389; 11.9095; 87.064; 67.901; 71.422;  

COD ID: 7121055
CIF file Formula: - C38 H28 Br3 Cu2 N6 O -
Comments: Hu, Jiyong; Liao, Chunli; Mao, Ruina; Zhang, Junshuai; Zhao, Jin'an; Gu, Zhenzhen DNA interactions and <i>in vitro</i> anticancer evaluations of pyridine-benzimidazole-based Cu complexes. MedChemComm 9(2) (2018) 337-343
Space group: P 1 21/m 1
Cell volume: 2568.2
Cell parameters: 9.7938; 19.0133; 14.1848; 90; 103.517; 90;  

COD ID: 7121167
CIF file Formula: - C9 H14 N6 O2 Si -
Comments: Cousin, David; Hummersone, Marc G.; Bradshaw, Tracey D.; Zhang, Jihong; Moody, Christopher J.; Foreiter, Magdalena B.; Summers, Helen S.; Lewis, William; Wheelhouse, Richard T.; Stevens, Malcolm F. G. Synthesis and growth-inhibitory activities of imidazo[5,1-<i>d</i>]-1,2,3,5-tetrazine-8-carboxamides related to the anti-tumour drug temozolomide, with appended silicon, benzyl and heteromethyl groups at the 3-position. MedChemComm 9(3) (2018) 545-553
Space group: P -1
Cell volume: 614.89
Cell parameters: 6.0637; 6.3295; 17.0569; 82.559; 81.097; 72.642;  

COD ID: 7121168
CIF file Formula: - C11 H18 N6 O3 Si -
Comments: Cousin, David; Hummersone, Marc G.; Bradshaw, Tracey D.; Zhang, Jihong; Moody, Christopher J.; Foreiter, Magdalena B.; Summers, Helen S.; Lewis, William; Wheelhouse, Richard T.; Stevens, Malcolm F. G. Synthesis and growth-inhibitory activities of imidazo[5,1-<i>d</i>]-1,2,3,5-tetrazine-8-carboxamides related to the anti-tumour drug temozolomide, with appended silicon, benzyl and heteromethyl groups at the 3-position. MedChemComm 9(3) (2018) 545-553
Space group: P -1
Cell volume: 756.61
Cell parameters: 7.5168; 9.0109; 11.412; 88.485; 78.814; 86.275;  

COD ID: 7121233
CIF file Formula: - C58.5 H60 Cl4 N6 O5.5 Ru2 S4 -
Comments: Qin, Qi-Pin; Meng, Ting; Tan, Ming-Xiong; Liu, Yan-Cheng; Wang, Shu-Long; Zou, Bi-Qun; Liang, Hong Synthesis, characterization and biological evaluation of six highly cytotoxic ruthenium(ii) complexes with 4'-substituted-2,2':6',2''-terpyridine. MedChemComm 9(3) (2018) 525-533
Space group: P 1 21/c 1
Cell volume: 6284.7
Cell parameters: 11.5669; 22.0229; 24.962; 90; 98.749; 90;  

COD ID: 7121289
CIF file Formula: - C19 H20 F N O3 S Si -
Comments: Roscales, Silvia; Bechmann, Nicole; Weiss, Daniel Holger; Köckerling, Martin; Pietzsch, Jens; Kniess, Torsten Novel valdecoxib derivatives by ruthenium(ii)-promoted 1,3-dipolar cycloaddition of nitrile oxides with alkynes - synthesis and COX-2 inhibition activity. MedChemComm 9(3) (2018) 534-544
Space group: P -1
Cell volume: 984.91
Cell parameters: 7.6192; 10.3601; 13.1271; 102.578; 92.847; 101.855;  

COD ID: 7121290
CIF file Formula: - C18 H19 F N2 O3 S Si -
Comments: Roscales, Silvia; Bechmann, Nicole; Weiss, Daniel Holger; Köckerling, Martin; Pietzsch, Jens; Kniess, Torsten Novel valdecoxib derivatives by ruthenium(ii)-promoted 1,3-dipolar cycloaddition of nitrile oxides with alkynes - synthesis and COX-2 inhibition activity. MedChemComm 9(3) (2018) 534-544
Space group: P -1
Cell volume: 945.3
Cell parameters: 9.705; 9.854; 11.726; 65.43; 68.51; 76.92;  

COD ID: 7121489
CIF file Formula: - C15 H14 N3 O6 Re S2 -
Comments: Mašković, Jelena M; Hatzidimitriou, Antonios; Damjanović, Ana; Stanojković, Tatjana P; Trifunović, Srećko R; Geronikaki, Athina A.; Papagiannopoulou, Dionysia Synthesis, characterization and biological evaluation of Pd(ii), Cu(ii), Re(i) and <sup>99m</sup>Tc(i) thiazole-based complexes. MedChemComm 9(5) (2018) 831-842
Space group: P 1 21/c 1
Cell volume: 3852.1
Cell parameters: 26.3056; 9.4798; 16.1346; 90; 106.786; 90;  

COD ID: 7121490
CIF file Formula: - C24 H28 Cl2 Cu N4 S4 -
Comments: Mašković, Jelena M; Hatzidimitriou, Antonios; Damjanović, Ana; Stanojković, Tatjana P; Trifunović, Srećko R; Geronikaki, Athina A.; Papagiannopoulou, Dionysia Synthesis, characterization and biological evaluation of Pd(ii), Cu(ii), Re(i) and <sup>99m</sup>Tc(i) thiazole-based complexes. MedChemComm 9(5) (2018) 831-842
Space group: P 1 21/c 1
Cell volume: 1410
Cell parameters: 19.911; 8.771; 8.088; 90; 93.416; 90;  

COD ID: 7121580
CIF file Formula: - C22 H29 N O2 -
Comments: Savić, Marina P; Ajduković, Jovana J; Plavša, Jovana J; Bekić, Sofija S; Ćelić, Andjelka S; Klisurić, Olivera R; Jakimov, Dimitar S.; Petri, Edward T.; Djurendić, Evgenija A Evaluation of A-ring fused pyridine d-modified androstane derivatives for antiproliferative and aldo-keto reductase 1C3 inhibitory activity. MedChemComm 9(6) (2018) 969-981
Space group: P 21 21 21
Cell volume: 1802.93
Cell parameters: 6.8428; 12.319; 21.388; 90; 90; 90;  

COD ID: 7121581
CIF file Formula: - C28 H36 N2 O2 -
Comments: Savić, Marina P; Ajduković, Jovana J; Plavša, Jovana J; Bekić, Sofija S; Ćelić, Andjelka S; Klisurić, Olivera R; Jakimov, Dimitar S.; Petri, Edward T.; Djurendić, Evgenija A Evaluation of A-ring fused pyridine d-modified androstane derivatives for antiproliferative and aldo-keto reductase 1C3 inhibitory activity. MedChemComm 9(6) (2018) 969-981
Space group: P 1 21 1
Cell volume: 1181.8
Cell parameters: 11.4355; 7.2184; 14.3262; 90; 92.092; 90;  

COD ID: 7121582
CIF file Formula: - C28 H32 N2 -
Comments: Savić, Marina P; Ajduković, Jovana J; Plavša, Jovana J; Bekić, Sofija S; Ćelić, Andjelka S; Klisurić, Olivera R; Jakimov, Dimitar S.; Petri, Edward T.; Djurendić, Evgenija A Evaluation of A-ring fused pyridine d-modified androstane derivatives for antiproliferative and aldo-keto reductase 1C3 inhibitory activity. MedChemComm 9(6) (2018) 969-981
Space group: P 21 21 21
Cell volume: 2222.48
Cell parameters: 7.8675; 12.2525; 23.0556; 90; 90; 90;  

COD ID: 7121616
CIF file Formula: - C23 H27 Cl0 F N4 O3 -
Comments: Kucwaj-Brysz, Katarzyna; Kurczab, Rafał; Żesławska, Ewa; Lubelska, Annamaria; Marć, Małgorzata Anna; Latacz, Gniewomir; Satała, Grzegorz; Nitek, Wojciech; Kieć-Kononowicz, Katarzyna; Handzlik, Jadwiga The role of aryl-topology in balancing between selective and dual 5-HT<sub>7</sub>R/5-HT<sub>1A</sub> actions of 3,5-substituted hydantoins. MedChemComm 9(6) (2018) 1033-1044
Space group: P 1 21/c 1
Cell volume: 2077.92
Cell parameters: 17.423; 6.0728; 20.2071; 90; 103.62; 90;  

COD ID: 7121694
CIF file Formula: - C43 H39 N6 O12 S2 -
Comments: Chen, Cheng; Xiang, Yang; Liu, Ya; Hu, Xiangdong; Yang, Ke-Wu Mercaptoacetate thioesters and their hydrolysate mercaptoacetic acids jointly inhibit metallo-β-lactamase L1. MedChemComm 9(7) (2018) 1172-1177
Space group: P -1
Cell volume: 1129
Cell parameters: 5.097; 11.161; 20.474; 76.969; 86.696; 84.67;  

COD ID: 7121719
CIF file Formula: - C20 H17 N3 O2 -
Comments: Sun, Wuji; Fang, Shubiao; Yan, Hong Discovery of novel picolinamide-based derivatives as novel VEGFR-2 kinase inhibitors: synthesis, <i>in vitro</i> biological evaluation and molecular docking. MedChemComm 9(6) (2018) 1054-1058
Space group: P 1 21/n 1
Cell volume: 1666.5
Cell parameters: 9.949; 15.604; 11.098; 90; 104.703; 90;  

COD ID: 7121720
CIF file Formula: - C25 H19 N3 O2 -
Comments: Sun, Wuji; Fang, Shubiao; Yan, Hong Discovery of novel picolinamide-based derivatives as novel VEGFR-2 kinase inhibitors: synthesis, <i>in vitro</i> biological evaluation and molecular docking. MedChemComm 9(6) (2018) 1054-1058
Space group: P 21 21 21
Cell volume: 1890.5
Cell parameters: 5.4568; 7.5939; 45.622; 90; 90; 90;  

COD ID: 7121827
CIF file Formula: - C27 H29 N7 O2 -
Comments: Karvande, Anirudha; Khan, Shahnawaz; Khan, Irfan; Singh, Deepti; Khedgikar, Vikram; Kushwaha, Priyanka; Ahmad, Naseer; Kothari, Priyanka; Dhasmana, Anupam; Kant, Ruchir; Trivedi, Ritu; Chauhan, Prem M. S. Discovery of a tetrazolyl β-carboline with <i>in vitro</i> and <i>in vivo</i> osteoprotective activity under estrogen-deficient conditions. MedChemComm 9(7) (2018) 1213-1225
Space group: P 1 21/n 1
Cell volume: 2448
Cell parameters: 9.814; 9.916; 25.156; 90; 90.477; 90;  

COD ID: 7121917
CIF file Formula: - C18 H22 Cl N3 O -
Comments: Castriconi, Federica; Paolino, Marco; Grisci, Giorgio; Francini, Cinzia Maria; Reale, Annalisa; Giuliani, Germano; Anzini, Maurizio; Giorgi, Gianluca; Mennuni, Laura; Sabatini, Chiara; Lanza, Marco; Caselli, Gianfranco; Cappelli, Andrea Development of subnanomolar-affinity serotonin 5-HT<sub>4</sub> receptor ligands based on quinoline structures. MedChemComm 9(9) (2018) 1466-1471
Space group: P c a 21
Cell volume: 3544
Cell parameters: 37.512; 7.28; 12.978; 90; 90; 90;  

COD ID: 7121918
CIF file Formula: - C20 H29 N3 O3 -
Comments: Castriconi, Federica; Paolino, Marco; Grisci, Giorgio; Francini, Cinzia Maria; Reale, Annalisa; Giuliani, Germano; Anzini, Maurizio; Giorgi, Gianluca; Mennuni, Laura; Sabatini, Chiara; Lanza, Marco; Caselli, Gianfranco; Cappelli, Andrea Development of subnanomolar-affinity serotonin 5-HT<sub>4</sub> receptor ligands based on quinoline structures. MedChemComm 9(9) (2018) 1466-1471
Space group: P 1 21/c 1
Cell volume: 1954.62
Cell parameters: 11.3833; 11.7128; 15.0977; 90; 103.83; 90;  

COD ID: 7122121
CIF file Formula: - C20 H18 Cl2 N3 O2 Pt S -
Comments: Qin, Qi-Pin; Zou, Bi-Qun; Hu, Fei-Long; Huang, Guo-Bao; Wang, Shu-Long; Gu, Yun-Qiong; Tan, Ming-Xiong Platinum(ii) complexes with rutaecarpine and tryptanthrin derivatives induce apoptosis by inhibiting telomerase activity and disrupting mitochondrial function. MedChemComm 9(10) (2018) 1639-1648
Space group: P 1 21/n 1
Cell volume: 2106.62
Cell parameters: 11.425; 15.9927; 11.939; 90; 105.051; 90;  

COD ID: 7122122
CIF file Formula: - C17 H14 Cl2 N2 O3 Pt S -
Comments: Qin, Qi-Pin; Zou, Bi-Qun; Hu, Fei-Long; Huang, Guo-Bao; Wang, Shu-Long; Gu, Yun-Qiong; Tan, Ming-Xiong Platinum(ii) complexes with rutaecarpine and tryptanthrin derivatives induce apoptosis by inhibiting telomerase activity and disrupting mitochondrial function. MedChemComm 9(10) (2018) 1639-1648
Space group: P -1
Cell volume: 910.61
Cell parameters: 8.5196; 9.9538; 10.8961; 95.033; 90.166; 98.338;  

COD ID: 7122123
CIF file Formula: - C17 H13 Cl2 I N2 O3 Pt S -
Comments: Qin, Qi-Pin; Zou, Bi-Qun; Hu, Fei-Long; Huang, Guo-Bao; Wang, Shu-Long; Gu, Yun-Qiong; Tan, Ming-Xiong Platinum(ii) complexes with rutaecarpine and tryptanthrin derivatives induce apoptosis by inhibiting telomerase activity and disrupting mitochondrial function. MedChemComm 9(10) (2018) 1639-1648
Space group: P 1 21/c 1
Cell volume: 1975.97
Cell parameters: 8.594; 11.5135; 21.0202; 90; 108.188; 90;  

COD ID: 7122124
CIF file Formula: - C18 H17 Br Cl2 N2 O4 Pt S -
Comments: Qin, Qi-Pin; Zou, Bi-Qun; Hu, Fei-Long; Huang, Guo-Bao; Wang, Shu-Long; Gu, Yun-Qiong; Tan, Ming-Xiong Platinum(ii) complexes with rutaecarpine and tryptanthrin derivatives induce apoptosis by inhibiting telomerase activity and disrupting mitochondrial function. MedChemComm 9(10) (2018) 1639-1648
Space group: C 1 2/c 1
Cell volume: 4240.26
Cell parameters: 23.8724; 7.916; 23.4616; 90; 106.984; 90;  

COD ID: 7122205
CIF file Formula: - C24 H18 Cl F N2 O3 -
Comments: Umar, Tarana; Shalini, Shruti; Raza, Md Kausar; Gusain, Siddharth; Kumar, Jitendra; Ahmed, Waqar; Tiwari, Manisha; Hoda, Nasimul New amyloid beta-disaggregating agents: synthesis, pharmacological evaluation, crystal structure and molecular docking of <i>N</i>-(4-((7-chloroquinolin-4-yl)oxy)-3-ethoxybenzyl)amines. MedChemComm 9(11) (2018) 1891-1904
Space group: P 1 21/c 1
Cell volume: 2056.2
Cell parameters: 10.474; 11.271; 17.518; 90; 96.136; 90;  

COD ID: 7122206
CIF file Formula: - C25 H23 Cl N2 O2 -
Comments: Umar, Tarana; Shalini, Shruti; Raza, Md Kausar; Gusain, Siddharth; Kumar, Jitendra; Ahmed, Waqar; Tiwari, Manisha; Hoda, Nasimul New amyloid beta-disaggregating agents: synthesis, pharmacological evaluation, crystal structure and molecular docking of <i>N</i>-(4-((7-chloroquinolin-4-yl)oxy)-3-ethoxybenzyl)amines. MedChemComm 9(11) (2018) 1891-1904
Space group: P -1
Cell volume: 1079
Cell parameters: 5.35; 14.08; 14.717; 101; 90.44; 97.24;  

COD ID: 7122245
CIF file Formula: - C21 H22 O6 -
Comments: Maguire, Casey J.; Chen, Zhi; Mocharla, Vani P.; Sriram, Madhavi; Strecker, Tracy E.; Hamel, Ernest; Zhou, Heling; Lopez, Ramona; Wang, Yifan; Mason, Ralph P.; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G. Synthesis of dihydronaphthalene analogues inspired by combretastatin A-4 and their biological evaluation as anticancer agents. MedChemComm 9(10) (2018) 1649-1662
Space group: C 1 2/c 1
Cell volume: 3604.3
Cell parameters: 56.225; 4.6615; 14.0454; 90; 101.729; 90;  

COD ID: 7122246
CIF file Formula: - C20 H22 O5 -
Comments: Maguire, Casey J.; Chen, Zhi; Mocharla, Vani P.; Sriram, Madhavi; Strecker, Tracy E.; Hamel, Ernest; Zhou, Heling; Lopez, Ramona; Wang, Yifan; Mason, Ralph P.; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G. Synthesis of dihydronaphthalene analogues inspired by combretastatin A-4 and their biological evaluation as anticancer agents. MedChemComm 9(10) (2018) 1649-1662
Space group: P 1 21/n 1
Cell volume: 1665.28
Cell parameters: 12.1996; 6.7253; 20.3499; 90; 94.1342; 90;  

COD ID: 7122375
CIF file Formula: - C9 H11 N3 S -
Comments: Mathew, Bijo; Baek, Seung Cheol; Grace Thomas Parambi, Della; Pil Lee, Jae; Joy, Monu; Annie Rilda, P. R.; Randev, Rugma V.; Nithyamol, P.; Vijayan, Vijitha; Inasu, Sini T.; Mathew, Githa Elizabeth; Lohidakshan, Krishnakumar K.; Kumar Krishnan, Girish; Kim, Hoon Selected aryl thiosemicarbazones as a new class of multi-targeted monoamine oxidase inhibitors. MedChemComm 9(11) (2018) 1871-1881
Space group: P 1 21/c 1
Cell volume: 1044.09
Cell parameters: 13.2482; 8.2243; 10.2827; 90; 111.265; 90;  

COD ID: 7122487
CIF file Formula: - C13 H19 N O3 -
Comments: Pańczyk, Katarzyna; Żelaszczyk, Dorota; Koczurkiewicz, Paulina; Słoczyńska, Karolina; Pękala, Elżbieta; Żesławska, Ewa; Nitek, Wojciech; Żmudzki, Paweł; Marona, Henryk; Waszkielewicz, Anna Synthesis and anticonvulsant activity of phenoxyacetyl derivatives of amines, including aminoalkanols and amino acids. MedChemComm 9(11) (2018) 1933-1948
Space group: P 21 21 21
Cell volume: 1294.59
Cell parameters: 7.3307; 20.5418; 8.597; 90; 90; 90;  

COD ID: 7122488
CIF file Formula: - C14 H20 N O3 -
Comments: Pańczyk, Katarzyna; Żelaszczyk, Dorota; Koczurkiewicz, Paulina; Słoczyńska, Karolina; Pękala, Elżbieta; Żesławska, Ewa; Nitek, Wojciech; Żmudzki, Paweł; Marona, Henryk; Waszkielewicz, Anna Synthesis and anticonvulsant activity of phenoxyacetyl derivatives of amines, including aminoalkanols and amino acids. MedChemComm 9(11) (2018) 1933-1948
Space group: P n a 21
Cell volume: 1366.4
Cell parameters: 21.431; 8.483; 7.516; 90; 90; 90;  

COD ID: 7122489
CIF file Formula: - C13 H19 N O3 -
Comments: Pańczyk, Katarzyna; Żelaszczyk, Dorota; Koczurkiewicz, Paulina; Słoczyńska, Karolina; Pękala, Elżbieta; Żesławska, Ewa; Nitek, Wojciech; Żmudzki, Paweł; Marona, Henryk; Waszkielewicz, Anna Synthesis and anticonvulsant activity of phenoxyacetyl derivatives of amines, including aminoalkanols and amino acids. MedChemComm 9(11) (2018) 1933-1948
Space group: P 21 21 21
Cell volume: 1291.2
Cell parameters: 7.3182; 20.524; 8.5965; 90; 90; 90;  

COD ID: 7122519
CIF file Formula: - C15 H18 O5 -
Comments: Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis. MedChemComm 9(12) (2018) 2017-2027
Space group: P 21 21 21
Cell volume: 1473.9
Cell parameters: 8.2861; 9.8316; 18.092; 90; 90; 90;  

COD ID: 7122520
CIF file Formula: - C15 H18 O5 -
Comments: Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis. MedChemComm 9(12) (2018) 2017-2027
Space group: P 21 21 21
Cell volume: 1457.79
Cell parameters: 8.1993; 9.5498; 18.6176; 90; 90; 90;  

COD ID: 7122521
CIF file Formula: - C14 H14 O5 -
Comments: Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis. MedChemComm 9(12) (2018) 2017-2027
Space group: P 21 21 21
Cell volume: 1288.12
Cell parameters: 4.674; 12.9175; 21.3349; 90; 90; 90;  

COD ID: 7122522
CIF file Formula: - C15 H20 O5 -
Comments: Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis. MedChemComm 9(12) (2018) 2017-2027
Space group: P 21 21 21
Cell volume: 1523.34
Cell parameters: 8.8306; 10.0761; 17.1204; 90; 90; 90;  

COD ID: 7122523
CIF file Formula: - C14 H16 O5 -
Comments: Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis. MedChemComm 9(12) (2018) 2017-2027
Space group: P 1 21 1
Cell volume: 672.84
Cell parameters: 7.6832; 7.5202; 11.6492; 90; 91.533; 90;  

COD ID: 7122524
CIF file Formula: - C15 H20 O5 -
Comments: Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis. MedChemComm 9(12) (2018) 2017-2027
Space group: P 21 21 21
Cell volume: 1502
Cell parameters: 11.0585; 11.4256; 11.8876; 90; 90; 90;  

COD ID: 7122525
CIF file Formula: - C48 H70 N6 O10 -
Comments: Kovaleva, Kseniya S.; Zubkov, Fedor I.; Bormotov, Nikolay I.; Novikov, Roman A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Gatilov, Yuriy V.; Zarubaev, Vladimir V.; Yarovaya, Olga I.; Shishkina, Larisa N.; Salakhutdinov, Nariman F. Synthesis of d-(+)-camphor-based <i>N</i>-acylhydrazones and their antiviral activity. MedChemComm 9(12) (2018) 2072-2082
Space group: P 1 21 1
Cell volume: 4773.5
Cell parameters: 10.819; 14.713; 30.167; 90; 96.24; 90;  

COD ID: 7122526
CIF file Formula: - C15 H20 N2 O2 -
Comments: Kovaleva, Kseniya S.; Zubkov, Fedor I.; Bormotov, Nikolay I.; Novikov, Roman A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Gatilov, Yuriy V.; Zarubaev, Vladimir V.; Yarovaya, Olga I.; Shishkina, Larisa N.; Salakhutdinov, Nariman F. Synthesis of d-(+)-camphor-based <i>N</i>-acylhydrazones and their antiviral activity. MedChemComm 9(12) (2018) 2072-2082
Space group: P 1 21 1
Cell volume: 1440.8
Cell parameters: 10.6401; 13.1077; 11.089; 90; 111.31; 90;  

COD ID: 7122527
CIF file Formula: - C58 H74 N6 O8 -
Comments: Kovaleva, Kseniya S.; Zubkov, Fedor I.; Bormotov, Nikolay I.; Novikov, Roman A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Gatilov, Yuriy V.; Zarubaev, Vladimir V.; Yarovaya, Olga I.; Shishkina, Larisa N.; Salakhutdinov, Nariman F. Synthesis of d-(+)-camphor-based <i>N</i>-acylhydrazones and their antiviral activity. MedChemComm 9(12) (2018) 2072-2082
Space group: P 1 21 1
Cell volume: 5328.4
Cell parameters: 10.949; 15.752; 31.273; 90; 98.92; 90;  

COD ID: 7122579
CIF file Formula: - C H N O -
Comments: Zhao, Fengyi; Lu, Wen; Su, Fan; Xu, Li; Jiang, Dong; Sun, Xu; Shi, Jiuzhou; Zhou, Mengyi; Lin, Feng; Cao, Fuliang Synthesis and potential antineoplastic activity of dehydroabietylamine imidazole derivatives. MedChemComm 9(12) (2018) 2091-2099
Space group: P 1 21 1
Cell volume: 2082.9
Cell parameters: 6.9872; 15.5151; 19.425; 90; 98.467; 90;  

COD ID: 7122580
CIF file Formula: - C25 H37 N3 O5 -
Comments: Zhao, Fengyi; Lu, Wen; Su, Fan; Xu, Li; Jiang, Dong; Sun, Xu; Shi, Jiuzhou; Zhou, Mengyi; Lin, Feng; Cao, Fuliang Synthesis and potential antineoplastic activity of dehydroabietylamine imidazole derivatives. MedChemComm 9(12) (2018) 2091-2099
Space group: P 1 21 1
Cell volume: 1240.32
Cell parameters: 10.3659; 7.0531; 16.9815; 90; 92.543; 90;  

COD ID: 7122891
CIF file Formula: - C32 H25 F N4 O5 -
Comments: Shyamsivappan, Selvaraj; Vivek, Raju; Saravanan, Arjunan; Arasakumar, Thangaraj; Subashini, Gopalan; Suresh, Thangaraj; Shankar, Ramasamy; Mohan, Palathurai Subramaniam Synthesis and X-ray study of dispiro 8-nitroquinolone analogues and their cytotoxic properties against human cervical cancer HeLa cells. MedChemComm 10(3) (2019) 439-449
Space group: P -1
Cell volume: 1346.35
Cell parameters: 7.7342; 11.9996; 14.6465; 97.469; 92.265; 91.035;  

COD ID: 7123016
CIF file Formula: - C18 H23 F N4 O2 -
Comments: Attram, Henrietta D.; Wittlin, Sergio; Chibale, Kelly Incorporation of an intramolecular hydrogen bonding motif in the side chain of antimalarial benzimidazoles. MedChemComm 10(3) (2019) 450-455
Space group: P 1 21/c 1
Cell volume: 1798.5
Cell parameters: 13.6252; 10.5144; 12.6246; 90; 96.075; 90;  

COD ID: 7123070
CIF file Formula: - C24 H35 N3 O5 -
Comments: Picott, Katherine J.; Deichert, Julie A.; deKemp, Ella M; Schatte, Gabriele; Sauriol, Françoise; Ross, Avena C. Isolation and characterization of tambjamine MYP1, a macrocyclic tambjamine analogue from marine bacterium <i>Pseudoalteromonas citrea</i>. MedChemComm 10(3) (2019) 478-483
Space group: P -1
Cell volume: 1196.53
Cell parameters: 9.8155; 11.1719; 11.1821; 91.5571; 95.2218; 101.216;  

COD ID: 7123148
CIF file Formula: - C14 H15 B F4 N2 -
Comments: Taniguchi, Atsuhiko; Sawazaki, Taka; Shimizu, Yusuke; Sohma, Youhei; Kanai, Motomu Photophysical properties and application in live cell imaging of B,B-fluoro-perfluoroalkyl BODIPYs. MedChemComm 10(7) (2019) 1121-1125
Space group: P 1 21/n 1
Cell volume: 1423.69
Cell parameters: 7.87143; 10.70505; 17.4437; 90; 104.401; 90;  

COD ID: 7123178
CIF file Formula: - C18 H17 F N2 O2 -
Comments: Sitwala, Nikum D.; Vyas, Vivek K.; Gedia, Piyush; Patel, Kinjal; Bouzeyen, Rania; Kidwai, Saqib; Singh, Ramandeep; Ghate, Manjunath D. 3D QSAR-based design and liquid phase combinatorial synthesis of 1,2-disubstituted benzimidazole-5-carboxylic acid and 3-substituted-5<i>H</i>-benzimidazo[1,2-<i>d</i>][1,4]benzodiazepin-6(7<i>H</i>)-one derivatives as anti-mycobacterial agents. MedChemComm 10(5) (2019) 817-827
Space group: P 21 21 21
Cell volume: 1600.5
Cell parameters: 10.0539; 10.6527; 14.9435; 90; 90; 90;  

COD ID: 7123230
CIF file Formula: - C250.29 H340.86 Mg2 N4 O141.24 -
Comments: Hou, Caixia; Rohr, Jürgen; Parkin, Sean; Tsodikov, Oleg V. How mithramycin stereochemistry dictates its structure and DNA binding function. MedChemComm 10(5) (2019) 735-741
Space group: P 1 21 1
Cell volume: 16723
Cell parameters: 28.073; 21.531; 28.536; 90; 104.17; 90;  

COD ID: 7123231
CIF file Formula: - C416 H544 B8 O257 Zn4 -
Comments: Hou, Caixia; Rohr, Jürgen; Parkin, Sean; Tsodikov, Oleg V. How mithramycin stereochemistry dictates its structure and DNA binding function. MedChemComm 10(5) (2019) 735-741
Space group: I 2 2 2
Cell volume: 16635.2
Cell parameters: 18.7382; 28.3032; 31.3664; 90; 90; 90;  

COD ID: 7123460
CIF file Formula: - C16 H31 Cl2 Ir N2 O -
Comments: DuChane, Christine M.; Karpin, George W.; Ehrich, Marion; Falkinham, 3rd, Joseph O; Merola, Joseph S. Iridium piano stool complexes with activity against <i>S. aureus</i> and MRSA: it is past time to truly think outside of the box. MedChemComm 10(8) (2019) 1391-1398
Space group: P 21 21 21
Cell volume: 3908.46
Cell parameters: 9.16689; 20.2059; 21.1011; 90; 90; 90;  

COD ID: 7123461
CIF file Formula: - C32.5 H59 Cl5 Ir2 N4 -
Comments: DuChane, Christine M.; Karpin, George W.; Ehrich, Marion; Falkinham, 3rd, Joseph O; Merola, Joseph S. Iridium piano stool complexes with activity against <i>S. aureus</i> and MRSA: it is past time to truly think outside of the box. MedChemComm 10(8) (2019) 1391-1398
Space group: P 1 21/c 1
Cell volume: 7570.76
Cell parameters: 25.3023; 14.75173; 20.32938; 90; 93.863; 90;  

COD ID: 7123556
CIF file Formula: - C14 H25 B O4 -
Comments: Bardell-Cox, Oliver A; White, Andrew J. P.; Aragón, Luis; Fuchter, Matthew J. Synthetic studies on the reverse antibiotic natural products, the nybomycins. MedChemComm 10(8) (2019) 1438-1444
Space group: P 21 21 21
Cell volume: 1628.7
Cell parameters: 8.9148; 9.6905; 18.8528; 90; 90; 90;  

COD ID: 7123599
CIF file Formula: - C21 H22 O5 -
Comments: Maguire, Casey J.; Carlson, Graham J.; Ford, Jacob W.; Strecker, Tracy E.; Hamel, Ernest; Trawick, Mary Lynn; Pinney, Kevin G. Synthesis and biological evaluation of structurally diverse α-conformationally restricted chalcones and related analogues. MedChemComm 10(8) (2019) 1445-1456
Space group: P b c a
Cell volume: 3547.1
Cell parameters: 13.8321; 8.4887; 30.2097; 90; 90; 90;  

COD ID: 7123600
CIF file Formula: - C21 H23 Br O4 -
Comments: Maguire, Casey J.; Carlson, Graham J.; Ford, Jacob W.; Strecker, Tracy E.; Hamel, Ernest; Trawick, Mary Lynn; Pinney, Kevin G. Synthesis and biological evaluation of structurally diverse α-conformationally restricted chalcones and related analogues. MedChemComm 10(8) (2019) 1445-1456
Space group: P b c a
Cell volume: 3745.8
Cell parameters: 13.7677; 10.5053; 25.8983; 90; 90; 90;  

COD ID: 7123601
CIF file Formula: - C21 H24 O4 -
Comments: Maguire, Casey J.; Carlson, Graham J.; Ford, Jacob W.; Strecker, Tracy E.; Hamel, Ernest; Trawick, Mary Lynn; Pinney, Kevin G. Synthesis and biological evaluation of structurally diverse α-conformationally restricted chalcones and related analogues. MedChemComm 10(8) (2019) 1445-1456
Space group: P 21 21 21
Cell volume: 1759.18
Cell parameters: 7.08; 8.7733; 28.3213; 90; 90; 90;  

COD ID: 7123638
CIF file Formula: - C19 H22 Cl N O4 S2 -
Comments: Vairoletti, Franco; Medeiros, Andrea; Fontán, Pablo; Meléndrez, Jennifer; Tabárez, Carlos; Salinas, Gustavo; Franco, Jaime; Comini, Marcelo A.; Saldaña, Jenny; Jancik, Vojtech; Mahler, Graciela; Saiz, Cecilia Synthesis of bicyclic 1,4-thiazepines as novel anti-<i>Trypanosoma brucei brucei</i> agents. MedChemComm 10(8) (2019) 1481-1487
Space group: P 1 21/n 1
Cell volume: 1982.8
Cell parameters: 6.205; 8.318; 38.4608; 90; 92.7485; 90;  

COD ID: 7124054
CIF file Formula: - C19 H23 N3 O -
Comments: Küppers, Jim; Benkel, Tobias; Annala, Suvi; Schnakenburg, Gregor; Kostenis, Evi; Gütschow, Michael BIM-46174 fragments as potential ligands of G proteins MedChemComm 10(10) (2019) 1838
Space group: P 1
Cell volume: 833.25
Cell parameters: 6.1589; 10.7744; 13.0636; 104.09; 93.658; 95.647;  

COD ID: 7124502
CIF file Formula: - C18 H14 Cu N4 O8 -
Comments: Hu, Kun; Liu, Chensi; Li, Jingui; Liang, Fupei Copper(ii) complexes based on quinoline-derived Schiff-base ligands: synthesis, characterization, HSA/DNA binding ability, and anticancer activity. MedChemComm 9(10) (2018) 1663-1672
Space group: P -1
Cell volume: 970.8
Cell parameters: 10.093; 10.384; 10.818; 78.634; 65.151; 71.085;  

COD ID: 7124503
CIF file Formula: - C19 H16 Cl2 Cu N2 O2 -
Comments: Hu, Kun; Liu, Chensi; Li, Jingui; Liang, Fupei Copper(ii) complexes based on quinoline-derived Schiff-base ligands: synthesis, characterization, HSA/DNA binding ability, and anticancer activity. MedChemComm 9(10) (2018) 1663-1672
Space group: P 1 21/n 1
Cell volume: 1846
Cell parameters: 9.784; 12.52; 15.403; 90; 101.907; 90;  

COD ID: 7124504
CIF file Formula: - C38 H32 Cu2 N4 O14 S2 -
Comments: Hu, Kun; Liu, Chensi; Li, Jingui; Liang, Fupei Copper(ii) complexes based on quinoline-derived Schiff-base ligands: synthesis, characterization, HSA/DNA binding ability, and anticancer activity. MedChemComm 9(10) (2018) 1663-1672
Space group: P -1
Cell volume: 1056.2
Cell parameters: 8.818; 9.995; 13.151; 99.756; 104.779; 103.63;  

COD ID: 7124505
CIF file Formula: - C19 H22 N2 O3 -
Comments: Ang, M Trisha C; Gumbau-Brisa, Roger; Allan, David S.; McDonald, Robert; Ferguson, Michael J.; Holbein, Bruce E.; Bierenstiel, Matthias DIBI, a 3-hydroxypyridin-4-one chelator iron-binding polymer with enhanced antimicrobial activity. MedChemComm 9(7) (2018) 1206-1212
Space group: P 21 21 21
Cell volume: 1756.72
Cell parameters: 7.24927; 12.5565; 19.2992; 90; 90; 90;  

COD ID: 7124506
CIF file Formula: - C12 H18 N2 O4 -
Comments: Ang, M Trisha C; Gumbau-Brisa, Roger; Allan, David S.; McDonald, Robert; Ferguson, Michael J.; Holbein, Bruce E.; Bierenstiel, Matthias DIBI, a 3-hydroxypyridin-4-one chelator iron-binding polymer with enhanced antimicrobial activity. MedChemComm 9(7) (2018) 1206-1212
Space group: P 1 21/n 1
Cell volume: 1283.02
Cell parameters: 7.1337; 25.555; 7.1778; 90; 101.331; 90;  

COD ID: 7125309
CIF file Formula: - C14 H20 Cl2 N O3 Rh S2 -
Comments: Zhang, Yun-Liang; Qin, Qi-Pin; Cao, Qian-Qian; Han, Hong-Hua; Liu, Zhu-Ling; Liu, Yan-Cheng; Liang, Hong; Chen, Zhen-Feng Synthesis, crystal structure, cytotoxicity and action mechanism of a Rh(iii) complex with 8-hydroxy-2-methylquinoline as a ligand. MedChemComm 8(1) (2017) 184-190
Space group: P 1 21/n 1
Cell volume: 1837.7
Cell parameters: 8.9953; 15.618; 13.4715; 90; 103.827; 90;  


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