Crystallography Open Database

Result : There are 63 entries in the selection

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Searching journal of publication like 'Med. Chem. Commun.'

COD ID: 7115348
CIF file Formula: - C30 H25 N O5 -
Comments: Jardim, Guilherme A. M.; Guimarães, Tiago T.; Pinto, Maria do Carmo F. R.; Cavalcanti, Bruno C.; de Farias, Kaio M.; Pessoa, Claudia; Gatto, Claudia C.; Nair, Divya K.; Namboothiri, Irishi N. N.; da Silva Júnior, Eufrânio N. Naphthoquinone-based chalcone hybrids and derivatives: synthesis and potent activity against cancer cell lines Med. Chem. Commun. 6(1) (2015) 120
Space group: C 1 2/c 1
Cell volume: 4885.3
Cell parameters: 37.446; 10.0704; 13.1981; 90; 101.015; 90;  

COD ID: 7116086
CIF file Formula: - C15 H21 N9 -
Comments: Hoffknecht, Barbara C.; Albada, H. Bauke; Sturm, Marina; Prochnow, Pascal; Bandow, Julia E.; Metzler-Nolte, Nils Synthesis and antibacterial activity of trivalent ultrashort Arg-Trp-based antimicrobial peptides (AMPs) Med. Chem. Commun. 6(2) (2015) 372
Space group: P 1 21/c 1
Cell volume: 1714.5
Cell parameters: 8.429; 15.689; 13.238; 90; 101.668; 90;  

COD ID: 7116342
CIF file Formula: - C37 H37 N5 O4 S -
Comments: Hao, Li-Ping; Xue, Wei-Zhe; Han, Xiao-Feng; He, Xing; Zhang, Jun; Zhou, Zhi-Ming Design, synthesis and biological activity of 4′-[(benzimidazol-1-yl)methyl]biphenyl-2-sulphonamides as dual angiotensin II and endothelin A receptor antagonists Med. Chem. Commun. 6(4) (2015) 715
Space group: P -1
Cell volume: 1628
Cell parameters: 11.726; 11.759; 12.907; 67.346; 89.007; 82.672;  

COD ID: 7116538
CIF file Formula: - C32 H30 B F2 I2 N5 -
Comments: Bhattacharyya, Arnab; Dixit, Akanksha; Mitra, Koushambi; Banerjee, Samya; Karande, Anjali A.; Chakravarty, Akhil R. BODIPY appended copper(ii) complexes of curcumin showing mitochondria targeted remarkable photocytotoxicity in visible light Med. Chem. Commun. 6(5) (2015) 846
Space group: P 21 21 21
Cell volume: 3222.7
Cell parameters: 10.3823; 10.3886; 29.879; 90; 90; 90;  

COD ID: 7116721
CIF file Formula: - C24 H34 O6 -
Comments: Devendar, Ponnam; Nayak, Vadithe Lakshma; Yadav, Dharmendra Kumar; Kumar, Arigari Niranjana; Kumar, Jonnala Kotesh; Satya Srinivas, KVN; Sridhar, Balasubramanian; Khan, Feroz; Sastry, Kakaraparthi Pandu; Ramakrishna, Sistla Synthesis and evaluation of anticancer activity of novel andrographolide derivatives Med. Chem. Commun. 6(5) (2015) 898
Space group: P 21 21 21
Cell volume: 2174.6
Cell parameters: 11.987; 12.551; 14.454; 90; 90; 90;  

COD ID: 7116722
CIF file Formula: - C24 H34 O7 -
Comments: Devendar, Ponnam; Nayak, Vadithe Lakshma; Yadav, Dharmendra Kumar; Kumar, Arigari Niranjana; Kumar, Jonnala Kotesh; Satya Srinivas, KVN; Sridhar, Balasubramanian; Khan, Feroz; Sastry, Kakaraparthi Pandu; Ramakrishna, Sistla Synthesis and evaluation of anticancer activity of novel andrographolide derivatives Med. Chem. Commun. 6(5) (2015) 898
Space group: P 21 21 21
Cell volume: 2277.3
Cell parameters: 12.4798; 12.7207; 14.3452; 90; 90; 90;  

COD ID: 7117165
CIF file Formula: - C20 H36 Au Cl N8 O4 -
Comments: Serebryanskaya, T. V.; Zolotarev, A. A.; Ott, I. A novel aminotriazole-based NHC complex for the design of gold(i) anti-cancer agents: synthesis and biological evaluation Med. Chem. Commun. 6(6) (2015) 1186
Space group: P n a 21
Cell volume: 2762.58
Cell parameters: 11.5632; 12.4279; 19.2238; 90; 90; 90;  

COD ID: 7117187
CIF file Formula: - C11 H16 N3 O7 -
Comments: Tamborini, Lucia; Mastronardi, Federica; Dall'Oglio, Federica; De Micheli, Carlo; Nielsen, Birgitte; Lo Presti, Leonardo; Conti, Paola; Pinto, Andrea Synthesis of unusual isoxazoline containingβandγ-dipeptides as potential glutamate receptor ligands Med. Chem. Commun. 6(7) (2015) 1260
Space group: P 21 21 21
Cell volume: 1299.9
Cell parameters: 5.438; 10.4231; 22.933; 90; 90; 90;  

COD ID: 7117323
CIF file Formula: - C29 H29 Br N2 O3 -
Comments: Kalia, Dimpy; K. S., Anil Kumar; Meena, Gajanand; Sethi, Kashmir Prasad; Sharma, Rohit; Trivedi, Priyanka; Khan, Shaheb Raj; Verma, Ajay Singh; Singh, Shyam; Sharma, Sandeep; Roy, Kuldeep K.; Kant, Ruchir; Krishnan, Manju Yasodha; Singh, Bhupendra N.; Sinha, Sudhir; Chaturvedi, Vinita; Saxena, Anil K.; Dikshit, Dinesh K. Synthesis and anti-tubercular activity of conformationally-constrained and bisquinoline analogs of TMC207 Med. Chem. Commun. 6(8) (2015) 1554
Space group: P 1 21/c 1
Cell volume: 2418.3
Cell parameters: 13.077; 12.197; 16.687; 90; 114.69; 90;  

COD ID: 7117324
CIF file Formula: - C29 H29 Br N2 O3 -
Comments: Kalia, Dimpy; K. S., Anil Kumar; Meena, Gajanand; Sethi, Kashmir Prasad; Sharma, Rohit; Trivedi, Priyanka; Khan, Shaheb Raj; Verma, Ajay Singh; Singh, Shyam; Sharma, Sandeep; Roy, Kuldeep K.; Kant, Ruchir; Krishnan, Manju Yasodha; Singh, Bhupendra N.; Sinha, Sudhir; Chaturvedi, Vinita; Saxena, Anil K.; Dikshit, Dinesh K. Synthesis and anti-tubercular activity of conformationally-constrained and bisquinoline analogs of TMC207 Med. Chem. Commun. 6(8) (2015) 1554
Space group: P 1 21/c 1
Cell volume: 2523.2
Cell parameters: 10.747; 10.565; 23.94; 90; 111.837; 90;  

COD ID: 7117325
CIF file Formula: - C30 H30 Br Cl N2 O3 -
Comments: Kalia, Dimpy; K. S., Anil Kumar; Meena, Gajanand; Sethi, Kashmir Prasad; Sharma, Rohit; Trivedi, Priyanka; Khan, Shaheb Raj; Verma, Ajay Singh; Singh, Shyam; Sharma, Sandeep; Roy, Kuldeep K.; Kant, Ruchir; Krishnan, Manju Yasodha; Singh, Bhupendra N.; Sinha, Sudhir; Chaturvedi, Vinita; Saxena, Anil K.; Dikshit, Dinesh K. Synthesis and anti-tubercular activity of conformationally-constrained and bisquinoline analogs of TMC207 Med. Chem. Commun. 6(8) (2015) 1554
Space group: P -1
Cell volume: 1352.4
Cell parameters: 7.799; 13.077; 14.674; 102.019; 102.584; 105.196;  

COD ID: 7117326
CIF file Formula: - C31 H33 Cl N2 O4 -
Comments: Kalia, Dimpy; K. S., Anil Kumar; Meena, Gajanand; Sethi, Kashmir Prasad; Sharma, Rohit; Trivedi, Priyanka; Khan, Shaheb Raj; Verma, Ajay Singh; Singh, Shyam; Sharma, Sandeep; Roy, Kuldeep K.; Kant, Ruchir; Krishnan, Manju Yasodha; Singh, Bhupendra N.; Sinha, Sudhir; Chaturvedi, Vinita; Saxena, Anil K.; Dikshit, Dinesh K. Synthesis and anti-tubercular activity of conformationally-constrained and bisquinoline analogs of TMC207 Med. Chem. Commun. 6(8) (2015) 1554
Space group: P -1
Cell volume: 1412
Cell parameters: 10.198; 12.405; 12.423; 79.72; 70.82; 72.77;  

COD ID: 7117550
CIF file Formula: - C15 H25 N2 O3 P S2 -
Comments: Alexander, Benjamin E.; Coles, Simon J.; Fox, Bridget C.; Khan, Tahmina F.; Maliszewski, Joseph; Perry, Alexis; Pitak, Mateusz B.; Whiteman, Matthew; Wood, Mark E. Investigating the generation of hydrogen sulfide from the phosphonamidodithioate slow-release donor GYY4137 Med. Chem. Commun. 6(9) (2015) 1649
Space group: C 1 2/c 1
Cell volume: 3684.82
Cell parameters: 24.2051; 8.9799; 17.2946; 90; 101.412; 90;  

COD ID: 7117770
CIF file Formula: - C22 H16 Cl N2 O -
Comments: Kalalbandi, Veerendra Kumar A.; Seetharamappa, J. 1-[(2E)-3-Phenylprop-2-enoyl]-1H-benzimidazoles as anticancer agents: synthesis, crystal structure analysis and binding studies of the most potent anticancer molecule with serum albumin Med. Chem. Commun. 6(11) (2015) 1942
Space group: P 1 21/c 1
Cell volume: 1758.1
Cell parameters: 13.5275; 7.5746; 18.3908; 90; 111.098; 90;  

COD ID: 7117864
CIF file Formula: - C23 H23 F N4 O5 -
Comments: Sha, Shao; Han, Hong-Wei; Gao, Fei; Liu, Tian-Bao; Li, Zhen; Xu, Chi; Zhong, Wei-Qing; Zhu, Hai-Liang Discovery of fluoroquinolone derivatives as potent, selective inhibitors of PI3Kγ Med. Chem. Commun. 6(11) (2015) 2029
Space group: P 1 21/c 1
Cell volume: 2444.2
Cell parameters: 7.8954; 24.3573; 12.7445; 90; 94.249; 90;  

COD ID: 7118033
CIF file Formula: - C25 H23.8 F3 N5 O3.4 -
Comments: Bernard-Gauthier, Vadim; Bailey, Justin J.; Aliaga, Arturo; Kostikov, Alexey; Rosa-Neto, Pedro; Wuest, Melinda; Brodeur, Garrett M.; Bedell, Barry J.; Wuest, Frank; Schirrmacher, Ralf Development of subnanomolar radiofluorinated (2-pyrrolidin-1-yl)imidazo[1,2-b]pyridazine pan-Trk inhibitors as candidate PET imaging probes Med. Chem. Commun. 6(12) (2015) 2184
Space group: P 1 21/c 1
Cell volume: 2357.98
Cell parameters: 13.8619; 10.1495; 17.3464; 90; 104.941; 90;  

COD ID: 7118058
CIF file Formula: - C20 H18 Br2 N2 O4 Zn -
Comments: Zhang, Hai-Rong; Liu, Yan-Cheng; Meng, Ting; Qin, Qi-Pin; Tang, Shang-Feng; Chen, Zhen-Feng; Zou, Bi-Qun; Liu, You-Nian; Liang, Hong Cytotoxicity, DNA binding and cell apoptosis induction of a zinc(ii) complex of HBrQ Med. Chem. Commun. 6(12) (2015) 2224
Space group: P 1 21/c 1
Cell volume: 1044.31
Cell parameters: 5.06412; 18.1609; 11.4569; 90; 97.646; 90;  

COD ID: 7118071
CIF file Formula: - C8 H6 Ag N3 O3 -
Comments: Savić, Nada D.; Glišić, Biljana Đ.; Wadepohl, Hubert; Pavic, Aleksandar; Senerovic, Lidija; Nikodinovic-Runic, Jasmina; Djuran, Miloš I. Silver(i) complexes with quinazoline and phthalazine: synthesis, structural characterization and evaluation of biological activities Med. Chem. Commun. 7(2) (2016) 282
Space group: P n a 21
Cell volume: 1745.2
Cell parameters: 13.678; 10.566; 12.076; 90; 90; 90;  

COD ID: 7118072
CIF file Formula: - C20 H18 Ag2 B2 F8 N6 -
Comments: Savić, Nada D.; Glišić, Biljana Đ.; Wadepohl, Hubert; Pavic, Aleksandar; Senerovic, Lidija; Nikodinovic-Runic, Jasmina; Djuran, Miloš I. Silver(i) complexes with quinazoline and phthalazine: synthesis, structural characterization and evaluation of biological activities Med. Chem. Commun. 7(2) (2016) 282
Space group: P -1
Cell volume: 617.7
Cell parameters: 7.544; 8.109; 11.175; 110.495; 99.22; 98.036;  

COD ID: 7118950
CIF file Formula: - C28 H20 Br2 Co N4 O4 -
Comments: Zhang, Hai-Rong; Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Meng, Ting; Qin, Qi-Pin; Zou, Bi-Qun; Liang, Hong Cobalt(ii) 8-hydroxyquinoline complexes: structure, cytotoxicity and action mechanism Med. Chem. Commun. 7(5) (2016) 806
Space group: P n n a
Cell volume: 3014.4
Cell parameters: 14.6162; 16.3774; 12.5927; 90; 90; 90;  

COD ID: 7118951
CIF file Formula: - C32 H32 Co N6 O8 -
Comments: Zhang, Hai-Rong; Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Meng, Ting; Qin, Qi-Pin; Zou, Bi-Qun; Liang, Hong Cobalt(ii) 8-hydroxyquinoline complexes: structure, cytotoxicity and action mechanism Med. Chem. Commun. 7(5) (2016) 806
Space group: C 1 2/c 1
Cell volume: 3127.9
Cell parameters: 17.88; 13.11; 14.44; 90; 112.47; 90;  

COD ID: 7118952
CIF file Formula: - C32 H24 Co N6 O4.25 -
Comments: Zhang, Hai-Rong; Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Meng, Ting; Qin, Qi-Pin; Zou, Bi-Qun; Liang, Hong Cobalt(ii) 8-hydroxyquinoline complexes: structure, cytotoxicity and action mechanism Med. Chem. Commun. 7(5) (2016) 806
Space group: P 4/n n c
Cell volume: 5514.7
Cell parameters: 17.9171; 17.9171; 17.1784; 90; 90; 90;  

COD ID: 7118953
CIF file Formula: - C25 H24 N6 O6 Zn -
Comments: Zou, Hua-Hong; Wei, Jun-Guang; Qin, Xiao-Huan; Mo, Shun-Gui; Qin, Qi-Pin; Liu, Yan-Cheng; Liang, Fu-Pei; Zhang, Yun-Liang; Chen, Zhen-Feng Synthesis, crystal structure, cytotoxicity and action mechanism of Zn(ii) and Mn(ii) complexes with 4-([2,2′:6′,2′′-terpyridin]-4′-yl)-N,N-diethylaniline as a ligand Med. Chem. Commun. 7(6) (2016) 1132
Space group: C 1 2/c 1
Cell volume: 2439.2
Cell parameters: 11.9747; 15.8152; 14.1457; 90; 114.424; 90;  

COD ID: 7118954
CIF file Formula: - C50 H48 Cl2 Mn N8 O8 -
Comments: Zou, Hua-Hong; Wei, Jun-Guang; Qin, Xiao-Huan; Mo, Shun-Gui; Qin, Qi-Pin; Liu, Yan-Cheng; Liang, Fu-Pei; Zhang, Yun-Liang; Chen, Zhen-Feng Synthesis, crystal structure, cytotoxicity and action mechanism of Zn(ii) and Mn(ii) complexes with 4-([2,2′:6′,2′′-terpyridin]-4′-yl)-N,N-diethylaniline as a ligand Med. Chem. Commun. 7(6) (2016) 1132
Space group: P 1 21/c 1
Cell volume: 4746.7
Cell parameters: 19.0394; 15.14; 17.3328; 90; 108.185; 90;  

COD ID: 7118955
CIF file Formula: - C10 H8 Au2 Cl6 N2 -
Comments: Glišić, Biljana Đ.; Savić, Nada D.; Warżajtis, Beata; Djokic, Lidija; Ilic-Tomic, Tatjana; Antić, Marija; Radenković, Slavko; Nikodinovic-Runic, Jasmina; Rychlewska, Urszula; Djuran, Miloš I. Synthesis, structural characterization and biological evaluation of dinuclear gold(iii) complexes with aromatic nitrogen-containing ligands: antimicrobial activity in relation to the complex nuclearity Med. Chem. Commun. 7(7) (2016) 1356
Space group: C 1 2/c 1
Cell volume: 1715.24
Cell parameters: 16.2461; 7.5152; 14.1846; 90; 97.938; 90;  

COD ID: 7118956
CIF file Formula: - C19 H19 Cl2 N3 O V -
Comments: Kumar, Arun; Dixit, Akanksha; Banerjee, Samya; Bhattacharyya, Arnab; Garai, Aditya; Karande, Anjali A.; Chakravarty, Akhil R. Cellular imaging and mitochondria targeted photo-cytotoxicity in visible light by singlet oxygen using a BODIPY-appended oxovanadium(iv) DNA crosslinking agent Med. Chem. Commun. 7(7) (2016) 1398
Space group: P -1
Cell volume: 1951.58
Cell parameters: 10.7433; 12.853; 14.532; 97.587; 90.559; 100.953;  

COD ID: 7119026
CIF file Formula: - C24 H18 Cl Co N8 O5 S Se2 -
Comments: Filipović, Nenad R.; Bjelogrlić, Snežana; Portalone, Gustavo; Pelliccia, Sveva; Silvestri, Romano; Klisurić, Olivera; Senćanski, Milan; Stanković, Dalibor; Todorović, Tamara R.; Muller, Christian D. Pro-apoptotic and pro-differentiation induction by 8-quinolinecarboxaldehyde selenosemicarbazone and its Co(iii) complex in human cancer cell lines Med. Chem. Commun. 7(8) (2016) 1604
Space group: P -1
Cell volume: 1449.48
Cell parameters: 10.3102; 10.7772; 14.5496; 80.932; 89.859; 65.526;  

COD ID: 7119027
CIF file Formula: - C11 H10 N4 Se -
Comments: Filipović, Nenad R.; Bjelogrlić, Snežana; Portalone, Gustavo; Pelliccia, Sveva; Silvestri, Romano; Klisurić, Olivera; Senćanski, Milan; Stanković, Dalibor; Todorović, Tamara R.; Muller, Christian D. Pro-apoptotic and pro-differentiation induction by 8-quinolinecarboxaldehyde selenosemicarbazone and its Co(iii) complex in human cancer cell lines Med. Chem. Commun. 7(8) (2016) 1604
Space group: P 1 21/c 1
Cell volume: 1150.97
Cell parameters: 8.8291; 12.9308; 10.1657; 90; 97.384; 90;  

COD ID: 7119029
CIF file Formula: - C21 H23 N3 O3 S -
Comments: Man, Ruo-Jun; Tang, Dan-Jie; Lu, Xiao-Yuan; Duan, Yong-Tao; Tao, Xiang-Xiang; Yang, Meng-Ru; Wang, Le-Le; Wang, Bao-Zhong; Xu, Chen; Zhu, Hai-Liang Synthesis and biological evaluation of novel indole derivatives containing sulfonamide scaffold as potential tubulin inhibitor Med. Chem. Commun. 7(9) (2016) 1759
Space group: C 1 2/c 1
Cell volume: 3993.1
Cell parameters: 22.12; 11.7114; 16.324; 90; 109.222; 90;  

COD ID: 7119063
CIF file Formula: - C25 H25 N3 O2 S -
Comments: Wu, Z. L.; Fang, Y. L.; Tang, Y. T.; Xiao, M. W.; Ye, J.; Li, G. X.; Hu, A. X. Synthesis and antitumor evaluation of 5-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(tert-butyl)-N-arylthiazol-2-amines Med. Chem. Commun. 7(9) (2016) 1768
Space group: I 1 2/a 1
Cell volume: 4451.5
Cell parameters: 19.2951; 13.6381; 19.3808; 90; 119.209; 90;  

COD ID: 7119104
CIF file Formula: - C11 H12 Cl N O2 Pt S -
Comments: Meng, Ting; Tang, Shang-Feng; Qin, Qi-Pin; Liang, Yue-Lan; Wu, Chen-Xuan; Wang, Chen-Yu; Yan, Hou-Tian; Dong, Jia-Xin; Liu, Yan-Cheng Evaluation of the effect of iodine substitution of 8-hydroxyquinoline on its platinum(ii)complex: cytotoxicity, cell apoptosis and telomerase inhibition Med. Chem. Commun. 7(9) (2016) 1802
Space group: P n a 21
Cell volume: 1269.08
Cell parameters: 7.4733; 17.126; 9.9156; 90; 90; 90;  

COD ID: 7119105
CIF file Formula: - C11 H10 Cl I2 N O2 Pt S -
Comments: Meng, Ting; Tang, Shang-Feng; Qin, Qi-Pin; Liang, Yue-Lan; Wu, Chen-Xuan; Wang, Chen-Yu; Yan, Hou-Tian; Dong, Jia-Xin; Liu, Yan-Cheng Evaluation of the effect of iodine substitution of 8-hydroxyquinoline on its platinum(ii)complex: cytotoxicity, cell apoptosis and telomerase inhibition Med. Chem. Commun. 7(9) (2016) 1802
Space group: P b c a
Cell volume: 6379.6
Cell parameters: 12.2175; 11.5867; 45.0661; 90; 90; 90;  

COD ID: 7119106
CIF file Formula: - C21 H16 O S -
Comments: Gill, Rupinder Kaur; Kaur, Ramandeep; Kumar, Virender; Gupta, Vivek; Singh, Gagandeep; Bariwal, Jitender Design and microwave assisted synthesis of novel 2-phenyl/2-phenylethynyl-3-aroyl thiophenes as potent antiproliferative agents Med. Chem. Commun. 7(10) (2016) 1966
Space group: P 1 21/n 1
Cell volume: 1698.7
Cell parameters: 13.3396; 8.2529; 15.4875; 90; 94.937; 90;  

COD ID: 7119107
CIF file Formula: - C15 H19 Cl N4 O -
Comments: Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues Med. Chem. Commun. 7(7) (2016) 1421
Space group: P 1 21/c 1
Cell volume: 4717.1
Cell parameters: 13.987; 16.528; 20.406; 90; 90.626; 90;  

COD ID: 7119108
CIF file Formula: - C21 H25 Cl N4 O2 -
Comments: Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues Med. Chem. Commun. 7(7) (2016) 1421
Space group: P 1 21/c 1
Cell volume: 2061.1
Cell parameters: 13.2894; 16.911; 9.2595; 90; 97.917; 90;  

COD ID: 7119109
CIF file Formula: - C22 H27 Cl N4 O2 S -
Comments: Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues Med. Chem. Commun. 7(7) (2016) 1421
Space group: P -1
Cell volume: 2370.1
Cell parameters: 10.217; 15.177; 16.06; 72.646; 85.659; 88.367;  

COD ID: 7119110
CIF file Formula: - C23 H29 Cl N4 O2 S -
Comments: Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues Med. Chem. Commun. 7(7) (2016) 1421
Space group: P -1
Cell volume: 1211.8
Cell parameters: 9.5365; 10.4435; 13.1768; 85.347; 84.622; 68.226;  

COD ID: 7119111
CIF file Formula: - C23 H31 Cl N4 O3 -
Comments: Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues Med. Chem. Commun. 7(7) (2016) 1421
Space group: P 1 21/c 1
Cell volume: 2469.1
Cell parameters: 10.2698; 14.906; 16.249; 90; 96.954; 90;  

COD ID: 7119112
CIF file Formula: - C23 H29 Cl N4 O2 S -
Comments: Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues Med. Chem. Commun. 7(7) (2016) 1421
Space group: C 1 c 1
Cell volume: 2420.5
Cell parameters: 17.753; 16.394; 9.6378; 90; 120.355; 90;  

COD ID: 7119113
CIF file Formula: - C21 H26 Cl2 N4 O2 -
Comments: Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues Med. Chem. Commun. 7(7) (2016) 1421
Space group: P 21 21 21
Cell volume: 2208.9
Cell parameters: 5.4909; 15.4713; 26.0024; 90; 90; 90;  

COD ID: 7119184
CIF file Formula: - C23 H28 O5 -
Comments: Herdman, Christine A.; Strecker, Tracy E.; Tanpure, Rajendra P.; Chen, Zhi; Winters, Alex; Gerberich, Jeni; Liu, Li; Hamel, Ernest; Mason, Ralph P.; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G. Synthesis and biological evaluation of benzocyclooctene-based and indene-based anticancer agents that function as inhibitors of tubulin polymerization Med. Chem. Commun. 7(12) (2016) 2418
Space group: P 1 21/c 1
Cell volume: 2003.6
Cell parameters: 11.735; 9.4232; 18.5619; 90; 102.544; 90;  

COD ID: 7119185
CIF file Formula: - C22 H26 O5 -
Comments: Herdman, Christine A.; Strecker, Tracy E.; Tanpure, Rajendra P.; Chen, Zhi; Winters, Alex; Gerberich, Jeni; Liu, Li; Hamel, Ernest; Mason, Ralph P.; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G. Synthesis and biological evaluation of benzocyclooctene-based and indene-based anticancer agents that function as inhibitors of tubulin polymerization Med. Chem. Commun. 7(12) (2016) 2418
Space group: P b c a
Cell volume: 3805.4
Cell parameters: 16.641; 11.1239; 20.557; 90; 90; 90;  

COD ID: 7119186
CIF file Formula: - C20 H27 Cl2 N3 O2 -
Comments: Wenker, Yvonne; Soeberdt, Michael; Daniliuc, Constantin; Ständer, Sonja; Schepmann, Dirk; Wünsch, Bernhard Synthesis and pharmacological evaluation of conformationally restricted κ-opioid receptor agonists Med. Chem. Commun. 7(12) (2016) 2368
Space group: P 1 21/c 1
Cell volume: 1994
Cell parameters: 14.181; 12.844; 11.3534; 90; 105.364; 90;  

COD ID: 7119187
CIF file Formula: - C11 H10 N4 S -
Comments: Todorović, Tamara R.; Vukašinović, Jelena; Portalone, Gustavo; Suleiman, Sherif; Gligorijević, Nevenka; Bjelogrlić, Snezana; Jovanović, Katarina; Radulović, Siniša; Anđelković, Katarina; Cassar, Analisse; Filipović, Nenad R.; Schembri-Wismayer, Pierre (Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines Med. Chem. Commun. 8(1) (2017) 103
Space group: P 1 21/c 1
Cell volume: 1120.44
Cell parameters: 8.9464; 12.8728; 9.7816; 90; 95.947; 90;  

COD ID: 7119188
CIF file Formula: - C22 H24 Cl2 Co N8 O4 -
Comments: Todorović, Tamara R.; Vukašinović, Jelena; Portalone, Gustavo; Suleiman, Sherif; Gligorijević, Nevenka; Bjelogrlić, Snezana; Jovanović, Katarina; Radulović, Siniša; Anđelković, Katarina; Cassar, Analisse; Filipović, Nenad R.; Schembri-Wismayer, Pierre (Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines Med. Chem. Commun. 8(1) (2017) 103
Space group: C 1 2/c 1
Cell volume: 2516.3
Cell parameters: 21.752; 10.0815; 13.905; 90; 124.39; 90;  

COD ID: 7119189
CIF file Formula: - C24 H18 Cl Co N8 O5 S3 -
Comments: Todorović, Tamara R.; Vukašinović, Jelena; Portalone, Gustavo; Suleiman, Sherif; Gligorijević, Nevenka; Bjelogrlić, Snezana; Jovanović, Katarina; Radulović, Siniša; Anđelković, Katarina; Cassar, Analisse; Filipović, Nenad R.; Schembri-Wismayer, Pierre (Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines Med. Chem. Commun. 8(1) (2017) 103
Space group: P -1
Cell volume: 1418.01
Cell parameters: 10.3016; 10.5421; 14.5516; 80.662; 89.829; 65.733;  

COD ID: 7119190
CIF file Formula: - C26 H25 F3 N4 O3 -
Comments: Pettersson, Martin; Johnson, Douglas S.; Rankic, Danica A.; Kauffman, Gregory W.; am Ende, Christopher W.; Butler, Todd W.; Boscoe, Brian; Evrard, Edelweiss; Helal, Christopher J.; Humphrey, John M.; Stepan, Antonia F.; Stiff, Cory M.; Yang, Eddie; Xie, Longfei; Bales, Kelly R.; Hajos-Korcsok, Eva; Jenkinson, Stephen; Pettersen, Betty; Pustilnik, Leslie R.; Ramirez, David S.; Steyn, Stefanus J.; Wood, Kathleen M.; Verhoest, Patrick R. Discovery of cyclopropyl chromane-derived pyridopyrazine-1,6-dione γ-secretase modulators with robust central efficacy Med. Chem. Commun. 8(4) (2017) 730
Space group: P 21 21 21
Cell volume: 2361.74
Cell parameters: 6.1848; 13.6417; 27.9922; 90; 90; 90;  

COD ID: 7119191
CIF file Formula: - C26 H36 Ga I N4 O4 -
Comments: Sivapackiam, Jothilingam; Harpstrite, Scott E.; Rath, Nigam P.; Sharma, Vijay 67Ga-metalloprobes: monitoring the impact of geometrical isomers on accumulation profiles in rat cardiomyoblasts and human breast carcinoma cells Med. Chem. Commun. 8(1) (2017) 158
Space group: P 1 21/c 1
Cell volume: 2811.8
Cell parameters: 11.2699; 17.6804; 14.9326; 90; 109.088; 90;  

COD ID: 7119580
CIF file Formula: - C20 H12 Cl5 Fe N2 O2 -
Comments: Zou, Bi-Qun; Qin, Qi-Pin; Bai, Yu-Xia; Cao, Qian-Qian; Zhang, Ye; Liu, Yan-Cheng; Chen, Zhen-Feng; Liang, Hong Synthesis and antitumor mechanism of a new iron(iii) complex with 5,7-dichloro-2-methyl-8-quinolinol as ligands Med. Chem. Commun. 8(3) (2017) 633
Space group: P 1 21/c 1
Cell volume: 6392.1
Cell parameters: 10.5841; 29.3409; 22.5449; 90; 114.077; 90;  

COD ID: 7119776
CIF file Formula: - C32 H45 N O5 S -
Comments: Zhou, Nan; Feng, Tian; Shen, Xin; Cui, Jiahui; Wu, Rangxin; Wang, Libin; Wang, Siwang; Zhang, Shengyong; Chen, Hui Synthesis, characterization, and radioprotective activity of α, β-unsaturated aryl sulfones analogs and their Tempol conjugates Med. Chem. Commun. (2017)
Space group: P -1
Cell volume: 1613
Cell parameters: 5.9676; 16.491; 16.558; 97.004; 93.026; 92.51;  

COD ID: 7119777
CIF file Formula: - C25 H29 Cl N O5 S -
Comments: Zhou, Nan; Feng, Tian; Shen, Xin; Cui, Jiahui; Wu, Rangxin; Wang, Libin; Wang, Siwang; Zhang, Shengyong; Chen, Hui Synthesis, characterization, and radioprotective activity of α, β-unsaturated aryl sulfones analogs and their Tempol conjugates Med. Chem. Commun. (2017)
Space group: P 1 21/c 1
Cell volume: 2526.1
Cell parameters: 23.6905; 12.9222; 8.2629; 90; 92.98; 90;  

COD ID: 7119778
CIF file Formula: - C17 H15 Cl N2 O3 -
Comments: Yang, Dongyan; wan, chuan; He, Mengmeng; Che, chuanliang; Xiao, Yumei; bin, fu; Qin, Zhaohai Design, synthesis, crystal structure and fungicidal activity of (E)-5-(methoxyimino)-3,5-dihydrobenzo[e][1,2]oxazepin-4(1H)-one analogues Med. Chem. Commun. (2017)
Space group: P 21 21 21
Cell volume: 1529.75
Cell parameters: 8.7758; 10.3761; 16.7996; 90; 90; 90;  

COD ID: 7119837
CIF file Formula: - C16 H20 Cl N3 O2 -
Comments: Sundriyal, Sandeep; Chen, Patty; Lubin, Alexandra; Lueg, Gregor; Lu, Fengling; White, Andrew J. P.; Malmquist, Nicholas; Vedadi, Masoud; Scherf, Artur; Fuchter, Matthew Identification of diaminoquinazoline histone lysine methyltransferase structure activity relationships that allow for segregation of human G9a inhibition and anti-Plasmodium activity Med. Chem. Commun. (2017)
Space group: P 1 21/c 1
Cell volume: 1547.21
Cell parameters: 9.9885; 8.6548; 18.3874; 90; 103.256; 90;  

COD ID: 7120055
CIF file Formula: - C24 H32 O4 S2 -
Comments: Cheng, Chunru; Liu, Yi; Liang, Ren-Ming; Ma, Qing-Ping; Xu, Kai; Liang, Xin-Yong; Huang, Wei; Sutton, Robert; Ding, Jie; ONeill, P M Synthesis of Thioether Andrographolide Derivatives and Their Inhibitory Effect Against Cancer Cells Med. Chem. Commun. (2017)
Space group: P 21 21 21
Cell volume: 2353.7
Cell parameters: 9.859; 13.57; 17.593; 90; 90; 90;  

COD ID: 7120252
CIF file Formula: - C17.75 H11.5 F3 N3 O2.25 -
Comments: Fairhurst, Robin A.; Knoepfel, Thomas; Leblanc, Catherine; Buschmann, Nicole; Gaul, Christoph; Blank, Jutta; Galuba, Inga; Trappe, Jörg; Zou, Chao; Voshol, Johannes; Genick, Christine; Brunet-Lefeuvre, Peggy; Bitsch, Francis; Graus-Porta, Diana; Furet, Pascal Approaches to selective fibroblast growth factor receptor 4 inhibition through targeting the ATP-pocket middle-hinge region Med. Chem. Commun. (2017)
Space group: P -1
Cell volume: 3125.5
Cell parameters: 10.634; 13.31; 24.836; 75.38; 87.42; 67.005;  

COD ID: 7120376
CIF file Formula: - C20 H25 N O5 -
Comments: Ostrowska, Kinga; Grzeszczuk, David; Głuch-Lutwin, Monika; Gryboś, Anna; Siwek, Agata; Dobrzycki, Lukasz; Trzaskowski, Bartosz Development of selective agents targeting serotonin 5HT1A receptors with subnanomolar activities based on a coumarin core Med. Chem. Commun. (2017)
Space group: P 1 21/c 1
Cell volume: 1817
Cell parameters: 17.1277; 9.9821; 10.6929; 90; 96.349; 90;  

COD ID: 7120377
CIF file Formula: - C24 H27 F N2 O3 -
Comments: Ostrowska, Kinga; Grzeszczuk, David; Głuch-Lutwin, Monika; Gryboś, Anna; Siwek, Agata; Dobrzycki, Lukasz; Trzaskowski, Bartosz Development of selective agents targeting serotonin 5HT1A receptors with subnanomolar activities based on a coumarin core Med. Chem. Commun. (2017)
Space group: P -1
Cell volume: 1044.36
Cell parameters: 7.7995; 9.8117; 14.8527; 78.625; 82.405; 69.9762;  

COD ID: 7120487
CIF file Formula: - C24 H27 N2 O7 P -
Comments: Yu, Yan-Cheng; Kuang, Wen-Bin; Huang, Ri-Zhen; Fang, Yi-Lin; Zhang, Ye; Chen, Zhengfeng; Ma, Xian-li Design, synthesis and pharmacological evaluation of new 2-oxo-quinoline derivatives containing α-aminophosphonates as potential antitumor agents Med. Chem. Commun. (2017)
Space group: P 1 21/c 1
Cell volume: 2580
Cell parameters: 12.598; 15.985; 12.834; 90; 93.364; 90;  

COD ID: 7120488
CIF file Formula: - C21 H24 N3 O7 P -
Comments: Yu, Yan-Cheng; Kuang, Wen-Bin; Huang, Ri-Zhen; Fang, Yi-Lin; Zhang, Ye; Chen, Zhengfeng; Ma, Xian-li Design, synthesis and pharmacological evaluation of new 2-oxo-quinoline derivatives containing α-aminophosphonates as potential antitumor agents Med. Chem. Commun. (2017)
Space group: P -1
Cell volume: 1064.6
Cell parameters: 8.0905; 11.3328; 11.78; 91.967; 90.537; 99.464;  

COD ID: 7120489
CIF file Formula: - C23 H26 N O5 P -
Comments: Yu, Yan-Cheng; Kuang, Wen-Bin; Huang, Ri-Zhen; Fang, Yi-Lin; Zhang, Ye; Chen, Zhengfeng; Ma, Xian-li Design, synthesis and pharmacological evaluation of new 2-oxo-quinoline derivatives containing α-aminophosphonates as potential antitumor agents Med. Chem. Commun. (2017)
Space group: P 1 21/n 1
Cell volume: 2232.6
Cell parameters: 8.405; 16.66; 16.156; 90; 99.29; 90;  

COD ID: 7120752
CIF file Formula: - C42 H40 Cl Cu2 N12 O4 S3 -
Comments: Wang, Yu-Ting; Fang, Yan; Zhao, Meng; Li, Xue; Ji, Yu-Mei; Han, Qiuxia Cu(II), Ga(III) and In(III) Complexes of 2-Acetylpyridine N(4)-phenylthiosemicarbazone: Synthesis, Spectral Characterization and Biological Activities Med. Chem. Commun. (2017)
Space group: P -1
Cell volume: 2574
Cell parameters: 13.541; 14.426; 14.744; 68.437; 74.165; 86.838;  

COD ID: 7120753
CIF file Formula: - C28 H30 Ga N9 O5 S2 -
Comments: Wang, Yu-Ting; Fang, Yan; Zhao, Meng; Li, Xue; Ji, Yu-Mei; Han, Qiuxia Cu(II), Ga(III) and In(III) Complexes of 2-Acetylpyridine N(4)-phenylthiosemicarbazone: Synthesis, Spectral Characterization and Biological Activities Med. Chem. Commun. (2017)
Space group: P 1 21/c 1
Cell volume: 3096.9
Cell parameters: 9.0501; 23.867; 14.345; 90; 91.847; 90;  

COD ID: 7120754
CIF file Formula: - C28 H28 In N9 O4 S2 -
Comments: Wang, Yu-Ting; Fang, Yan; Zhao, Meng; Li, Xue; Ji, Yu-Mei; Han, Qiuxia Cu(II), Ga(III) and In(III) Complexes of 2-Acetylpyridine N(4)-phenylthiosemicarbazone: Synthesis, Spectral Characterization and Biological Activities Med. Chem. Commun. (2017)
Space group: P b c a
Cell volume: 6312
Cell parameters: 19.8872; 15.2811; 20.7702; 90; 90; 90;  


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