# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2025-12-06T09:17:45+01:00 # Query: # SELECT data.* # FROM # data JOIN jaltnames # ON altname = journal # WHERE # (status is null or status != 'retracted') and # (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'MedChemComm') AND volume = 9 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical')) # ORDER BY file asc file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold "7120919","17.435","0.002","19.1274","0.0019","22.985","0.003","90","","110.64","0.013","90","","7173.2","1.6","293","2","293","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C36 H33 N8 Ni O10 -","- C36 H32.5 N8 Ni O10 -","- C288 H260 N64 Ni8 O80 -","8","2","","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","2018","9","1","100","107","10.1039/c7md00428a","","x-ray","0.71073","MoKα","","0.1813","0.0733","","","0.1292","0.1877","","","","","","0.985","","","","has coordinates","230130","2020-10-21","18:00:00","" "7121054","9.4142","0.0008","10.2389","0.0008","11.9095","0.001","87.064","0.007","67.901","0.008","71.422","0.007","1005.13","0.16","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C21 H18 Cl Cu N4 O S -","- C21 H18 Cl Cu N4 O S -","- C42 H36 Cl2 Cu2 N8 O2 S2 -","2","1","","Hu, Jiyong; Liao, Chunli; Mao, Ruina; Zhang, Junshuai; Zhao, Jin'an; Gu, Zhenzhen","DNA interactions and in vitro anticancer evaluations of pyridine-benzimidazole-based Cu complexes.","MedChemComm","2018","9","2","337","343","10.1039/c7md00462a","","","1.54184","CuKα","","0.0515","0.0376","","","0.0893","0.0964","","","","","","1.042","","","","has coordinates","230132","2020-10-21","18:00:00","" "7121055","9.7938","0.0003","19.0133","0.0015","14.1848","0.0008","90","","103.517","0.004","90","","2568.2","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C38 H28 Br3 Cu2 N6 O -","- C38 H28 Br3 Cu2 N6 O -","- C76 H56 Br6 Cu4 N12 O2 -","2","0.5","","Hu, Jiyong; Liao, Chunli; Mao, Ruina; Zhang, Junshuai; Zhao, Jin'an; Gu, Zhenzhen","DNA interactions and in vitro anticancer evaluations of pyridine-benzimidazole-based Cu complexes.","MedChemComm","2018","9","2","337","343","10.1039/c7md00462a","","","1.54184","CuKα","","0.1282","0.0794","","","0.2185","0.2373","","","","","","0.981","","","","has coordinates","230132","2020-10-21","18:00:00","" "7121167","6.0637","0.0007","6.3295","0.0008","17.0569","0.0017","82.559","0.009","81.097","0.009","72.642","0.01","614.89","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 N6 O2 Si -","- C9 H14 N6 O2 Si -","- C18 H28 N12 O4 Si2 -","2","1","","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-d]-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","2018","9","3","545","553","10.1039/c7md00554g","","x-ray","1.54184","CuKα","","0.0905","0.0825","","","0.2166","0.2225","","","","","","1.074","","","","has coordinates","301860","2025-08-22","09:23:51","" "7121168","7.5168","0.001","9.0109","0.0015","11.412","0.0015","88.485","0.012","78.814","0.011","86.275","0.012","756.61","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H18 N6 O3 Si -","- C11 H18 N6 O3 Si -","- C22 H36 N12 O6 Si2 -","2","1","","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-d]-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","2018","9","3","545","553","10.1039/c7md00554g","","x-ray","1.54184","CuKα","","0.0452","0.041","","","0.1096","0.1139","","","","","","1.041","","","","has coordinates","301860","2025-08-22","09:24:00","" "7121233","11.5669","0.0004","22.0229","0.0006","24.962","0.0007","90","","98.749","0.003","90","","6284.7","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Ru5","","- C58.5 H60 Cl4 N6 O5.5 Ru2 S4 -","- C58.5 H60 Cl4 N6 O5.5 Ru2 S4 -","- C234 H240 Cl16 N24 O22 Ru8 S16 -","4","1","","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","2018","9","3","525","533","10.1039/c7md00532f","","x-ray","0.71073","MoKα","","0.0897","0.0583","","","0.1559","0.176","","","","","","1.033","","","","has coordinates","230146","2020-10-21","18:00:00","" "7121289","7.6192","0.0005","10.3601","0.0007","13.1271","0.0009","102.578","0.004","92.847","0.004","101.855","0.004","984.91","0.12","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","3-(4-fluorophenyl)-4-(4-(methylsulfonyl)phenyl)-5-(trimethylsilyl)isoxazole","","- C19 H20 F N O3 S Si -","- C19 H20 F N O3 S Si -","- C38 H40 F2 N2 O6 S2 Si2 -","2","1","","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","2018","9","3","534","544","10.1039/c7md00575j","","","0.71073","MoKα","","0.1649","0.0577","","","0.1078","0.1386","","","","","","0.947","","","","has coordinates","301860","2025-08-22","09:24:06","" "7121290","9.705","0.006","9.854","0.006","11.726","0.008","65.43","0.03","68.51","0.03","76.92","0.02","945.3","1.1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","4-(3-(4-fluorophenyl)-5-(trimethylsilyl)isoxazol-4-yl)benzenesulfonamide","","- C18 H19 F N2 O3 S Si -","- C18 H19 F N2 O3 S Si -","- C36 H38 F2 N4 O6 S2 Si2 -","2","1","","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","2018","9","3","534","544","10.1039/c7md00575j","","","0.71073","MoKα","","0.0803","0.0487","","","0.111","0.1273","","","","","","1.05","","","","has coordinates","301860","2025-08-22","09:24:06","" "7121489","26.3056","0.0013","9.4798","0.0004","16.1346","0.0006","90","","106.786","0.002","90","","3852.1","0.3","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N3 O6 Re S2 -","- C15 H14 N3 O6 Re S2 -","- C120 H112 N24 O48 Re8 S16 -","8","2","","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 99mTc(i) thiazole-based complexes.","MedChemComm","2018","9","5","831","842","10.1039/c8md00067k","","x-ray","0.71073","MoKα","","0.0741","0.0362","","0.0601","0.0538","0.0538","","","","","","1","","","","has coordinates","230131","2020-10-21","18:00:00","" "7121490","19.911","0.011","8.771","0.004","8.088","0.004","90","","93.416","0.015","90","","1410","1.2","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cl2 Cu N4 S4 -","- C24 H28 Cl2 Cu N4 S4 -","- C48 H56 Cl4 Cu2 N8 S8 -","2","0.5","","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 99mTc(i) thiazole-based complexes.","MedChemComm","2018","9","5","831","842","10.1039/c8md00067k","","x-ray","0.71073","MoKα","","0.0712","0.047","","0.1036","0.1012","0.1012","","","","","","0.9997","","","","has coordinates","230131","2020-10-21","18:00:00","" "7121580","6.8428","0.0004","12.319","0.0008","21.388","0.0012","90","","90","","90","","1802.93","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C88 H116 N4 O8 -","4","1","","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","2018","9","6","969","981","10.1039/c8md00077h","","","1.54184","CuKα","","0.0519","0.0452","","","0.1193","0.1259","","","","","","1.025","","","","has coordinates","301860","2025-08-22","09:24:07","" "7121581","11.4355","0.0016","7.2184","0.0007","14.3262","0.0012","90","","92.092","0.01","90","","1181.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H36 N2 O2 -","- C28 H36 N2 O2 -","- C56 H72 N4 O4 -","2","1","","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","2018","9","6","969","981","10.1039/c8md00077h","","","1.54184","CuKα","","0.0562","0.0468","","","0.1277","0.1393","","","","","","1.074","","","","has coordinates","230134","2020-10-21","18:00:00","" "7121582","7.8675","0.0002","12.2525","0.0004","23.0556","0.0008","90","","90","","90","","2222.48","0.12","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 -","- C28 H32 N2 -","- C112 H128 N8 -","4","1","","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","2018","9","6","969","981","10.1039/c8md00077h","","","1.54184","CuKα","","0.0584","0.0543","","","0.1516","0.1586","","","","","","1.045","","","","has coordinates","230134","2020-10-21","18:00:00","" "7121616","17.423","0.0007","6.0728","0.0002","20.2071","0.0007","90","","103.62","0.004","90","","2077.92","0.13","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione","","- C23 H27 Cl0 F N4 O3 -","- C23 H27 F N4 O3 -","- C92 H108 F4 N16 O12 -","4","1","","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-HT7R/5-HT1A actions of 3,5-substituted hydantoins.","MedChemComm","2018","9","6","1033","1044","10.1039/c8md00168e","","x-ray","0.71073","MoKα","","0.112","0.0738","","","0.1793","0.2028","","","","","","1.06","","","","has coordinates","230135","2020-10-21","18:00:00","" "7121694","5.097","0.002","11.161","0.005","20.474","0.01","76.969","0.009","86.696","0.011","84.67","0.012","1129","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H39 N6 O12 S2 -","- C43 H39 N6 O12 S2 -","- C43 H39 N6 O12 S2 -","1","0.5","","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","2018","9","7","1172","1177","10.1039/c8md00091c","","","0.71073","MoKα","","0.3012","0.2141","","","0.4191","0.4764","","","","","","1.187","","","","has coordinates","230137","2020-10-21","18:00:00","" "7121719","9.949","0.002","15.604","0.003","11.098","0.002","90","","104.703","0.004","90","","1666.5","0.6","113","","113","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O2 -","- C20 H17 N3 O2 -","- C80 H68 N12 O8 -","4","1","","Sun, Wuji; Fang, Shubiao; Yan, Hong","Discovery of novel picolinamide-based derivatives as novel VEGFR-2 kinase inhibitors: synthesis, in vitro biological evaluation and molecular docking.","MedChemComm","2018","9","6","1054","1058","10.1039/c8md00057c","","","0.71073","MoKα","","0.0485","0.0389","","","0.0988","0.1047","","","","","","1.044","","","","has coordinates","301860","2025-08-22","09:24:07","" "7121720","5.4568","0.0007","7.5939","0.0005","45.622","0.003","90","","90","","90","","1890.5","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N3 O2 -","- C25 H19 N3 O2 -","- C100 H76 N12 O8 -","4","1","","Sun, Wuji; Fang, Shubiao; Yan, Hong","Discovery of novel picolinamide-based derivatives as novel VEGFR-2 kinase inhibitors: synthesis, in vitro biological evaluation and molecular docking.","MedChemComm","2018","9","6","1054","1058","10.1039/c8md00057c","","","0.71073","MoKα","","0.0303","0.0298","","","0.0739","0.0743","","","","","","1.079","","","","has coordinates","301860","2025-08-22","09:24:07","" "7121827","9.814","0.002","9.916","0.002","25.156","0.005","90","","90.477","0.004","90","","2448","0.9","100","2","100","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 N7 O2 -","- C27 H29 N7 O2 -","- C108 H116 N28 O8 -","4","1","","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 in vitro and in vivo osteoprotective activity under estrogen-deficient conditions.","MedChemComm","2018","9","7","1213","1225","10.1039/c8md00109j","","","0.71073","MoKα","","0.1147","0.0633","","","0.1445","0.1895","","","","","","1.078","","","","has coordinates","301860","2025-08-22","09:24:07","" "7121917","37.512","0.005","7.28","0.005","12.978","0.005","90","","90","","90","","3544","3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-chloro-N-(3-(piperidin-1-yl)propyl)quinoline-2-carboxamide","","- C18 H22 Cl N3 O -","- C18 H22 Cl N3 O -","- C144 H176 Cl8 N24 O8 -","8","2","","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-HT4 receptor ligands based on quinoline structures.","MedChemComm","2018","9","9","1466","1471","10.1039/c8md00233a","","","0.71073","MoKα","","0.263","0.0385","","","0.0396","0.056","","","","","","0.586","","","","has coordinates","301860","2025-08-22","09:24:08","" "7121918","11.3833","0.0006","11.7128","0.0006","15.0977","0.0008","90","","103.83","0.006","90","","1954.62","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-((1-butylpiperidin-4-yl)methyl)-8-hydroxyquinoline-2-carboxamide hydrate","","- C20 H29 N3 O3 -","- C20 H29 N3 O3 -","- C80 H116 N12 O12 -","4","1","","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-HT4 receptor ligands based on quinoline structures.","MedChemComm","2018","9","9","1466","1471","10.1039/c8md00233a","","","0.71073","MoKα","","0.1215","0.0448","","","0.0853","0.0969","","","","","","0.766","","","","has coordinates,has disorder","301860","2025-08-22","09:24:08","" "7122121","11.425","0.0002","15.9927","0.0003","11.939","0.0002","90","","105.051","0.001","90","","2106.62","0.07","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 N3 O2 Pt S -","- C20 H18 Cl2 N3 O2 Pt S -","- C80 H72 Cl8 N12 O8 Pt4 S4 -","4","1","","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","2018","9","10","1639","1648","10.1039/c8md00247a","","","0.71073","MoKα","","0.1098","0.1004","","","0.2294","0.2354","","","","","","1.08","","","","has coordinates","230129","2020-10-21","18:00:00","" "7122122","8.5196","0.0001","9.9538","0.0002","10.8961","0.0002","95.033","0.001","90.166","0.001","98.338","0.001","910.61","0.03","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H14 Cl2 N2 O3 Pt S -","- C17 H14 Cl2 N2 O3 Pt S -","- C34 H28 Cl4 N4 O6 Pt2 S2 -","2","1","","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","2018","9","10","1639","1648","10.1039/c8md00247a","","","0.71073","MoKα","","0.0544","0.0503","","","0.1256","0.1279","","","","","","1.099","","","","has coordinates","230129","2020-10-21","18:00:00","" "7122123","8.594","0.0001","11.5135","0.0002","21.0202","0.0003","90","","108.188","0.001","90","","1975.97","0.05","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl2 I N2 O3 Pt S -","- C17 H13 Cl2 I N2 O3 Pt S -","- C68 H52 Cl8 I4 N8 O12 Pt4 S4 -","4","1","","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","2018","9","10","1639","1648","10.1039/c8md00247a","","","0.71073","MoKα","","0.0704","0.0512","","","0.1536","0.1658","","","","","","1.044","","","","has coordinates","230129","2020-10-21","18:00:00","" "7122124","23.8724","0.0005","7.916","0.0002","23.4616","0.0005","90","","106.984","0.001","90","","4240.26","0.17","296","2","296.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Br Cl2 N2 O4 Pt S -","- C18 H17 Br Cl2 N2 O4 Pt S -","- C144 H136 Br8 Cl16 N16 O32 Pt8 S8 -","8","1","","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","2018","9","10","1639","1648","10.1039/c8md00247a","","","0.71073","MoKα","","0.0484","0.0337","","","0.0785","0.0838","","","","","","1.07","","","","has coordinates","230129","2020-10-21","18:00:00","" "7122205","10.474","0.003","11.271","0.003","17.518","0.005","90","","96.136","0.009","90","","2056.2","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl F N2 O3 -","- C24 H19 Cl F2 N2 O2 -","- C96 H76 Cl4 F8 N8 O8 -","4","1","","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 N-(4-((7-chloroquinolin-4-yl)oxy)-3-ethoxybenzyl)amines.","MedChemComm","2018","9","11","1891","1904","10.1039/c8md00312b","","","0.71073","MoKα","","0.0941","0.052","","","0.1054","0.1246","","","","","","1.029","","","","has coordinates","230141","2020-10-21","18:00:00","" "7122206","5.35","0.004","14.08","0.011","14.717","0.011","101","0.03","90.44","0.03","97.24","0.03","1079","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 Cl N2 O2 -","- C25 H23 Cl N2 O2 -","- C50 H46 Cl2 N4 O4 -","2","1","","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 N-(4-((7-chloroquinolin-4-yl)oxy)-3-ethoxybenzyl)amines.","MedChemComm","2018","9","11","1891","1904","10.1039/c8md00312b","","","0.71073","MoKα","","0.3659","0.1973","","","0.3719","0.4426","","","","","","1.172","","","","has coordinates","301860","2025-08-22","09:24:08","" "7122245","56.225","0.004","4.6615","0.0003","14.0454","0.0009","90","","101.729","0.004","90","","3604.3","0.4","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 O6 -","- C21 H22 O6 -","- C168 H176 O48 -","8","1","","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","2018","9","10","1649","1662","10.1039/c8md00322j","","","0.71073","MoKα","","0.0924","0.0468","","","0.0937","0.1113","","","","","","1.015","","","","has coordinates","301860","2025-08-22","09:24:08","" "7122246","12.1996","0.0005","6.7253","0.0002","20.3499","0.0009","90","","94.1342","0.0015","90","","1665.28","0.11","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","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","2018","9","10","1649","1662","10.1039/c8md00322j","","","0.71073","MoKα","","0.0587","0.046","","","0.131","0.1366","","","","","","1.671","","","","has coordinates","301860","2025-08-22","09:24:08","" "7122375","13.2482","0.0009","8.2243","0.0004","10.2827","0.0007","90","","111.265","0.003","90","","1044.09","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N3 S -","- C9 H11 N3 S -","- C36 H44 N12 S4 -","4","1","","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","2018","9","11","1871","1881","10.1039/c8md00399h","","","0.71073","MoKα","","0.1115","0.0558","","","0.1069","0.127","","","","","","1.031","","","","has coordinates","301860","2025-08-22","09:24:08","" "7122487","7.3307","0.0004","20.5418","0.0009","8.597","0.0004","90","","90","","90","","1294.59","0.11","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","R-(-)-2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","","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","2018","9","11","1933","1948","10.1039/c8md00430g","","x-ray","1.54184","CuKα","","0.0968","0.0952","","","0.237","0.2388","","","","","","1.073","","","","has coordinates","230139","2020-10-21","18:00:00","" "7122488","21.431","0.0013","8.483","0.0018","7.516","0.003","90","","90","","90","","1366.4","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","R,S-2-(2,6-dimethylphenoxy)-N-(2-hydroxybutyl)acetamide","","- C14 H20 N O3 -","- C14 H21 N O3 -","- C56 H84 N4 O12 -","4","1","","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","2018","9","11","1933","1948","10.1039/c8md00430g","","","0.71073","MoKα","","0.1133","0.0851","","","0.1979","0.215","","","","3.032","3.032","1.092","","","","has coordinates,has disorder","230139","2020-10-21","18:00:00","" "7122489","7.3182","0.0008","20.524","0.002","8.5965","0.0012","90","","90","","90","","1291.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","S-(+)-2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","","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","2018","9","11","1933","1948","10.1039/c8md00430g","","","1.5418","CuKα","","0.0998","0.0913","","","0.2315","0.2408","","","","","","1.076","","","","has coordinates","230139","2020-10-21","18:00:00","" "7122519","8.2861","0.001","9.8316","0.001","18.092","0.002","90","","90","","90","","1473.9","0.3","294","2","294","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone","3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel O-methyl goniofufurone and 7-epi-goniofufurone derivatives: synthesis, in vitro cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.1383","0.1193","","","0.237","0.268","","","","","","1.09","","","","has coordinates","301860","2025-08-22","09:24:09","" "7122520","8.1993","0.0002","9.5498","0.0002","18.6176","0.0004","90","","90","","90","","1457.79","0.06","294","2","294","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-L-glycero-D-ido-heptono-1,4-lactone","3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-L-glycero-D-ido-heptono-1,4-lactone","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel O-methyl goniofufurone and 7-epi-goniofufurone derivatives: synthesis, in vitro cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.1089","0.0973","","","0.1872","0.2007","","","","","","1.17","","","","has coordinates","301860","2025-08-22","09:24:09","" "7122521","4.674","0.0002","12.9175","0.0007","21.3349","0.0007","90","","90","","90","","1288.12","0.1","295","2","295","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","3,6-Anhydro-2-deoxy-5-O-methyl-7-C-phenyl-D-ido-hept-7-ulosono-1,4-lactone","3,6-Anhydro-2-deoxy-5-O-methyl-7-C-phenyl-D-ido-hept-7-ulosono-1,4-lactone","","- C14 H14 O5 -","- C14 H14 O5 -","- C56 H56 O20 -","4","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel O-methyl goniofufurone and 7-epi-goniofufurone derivatives: synthesis, in vitro cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.0632","0.0429","","","0.0953","0.1058","","","","","","1.032","","","","has coordinates","301860","2025-08-22","09:24:09","" "7122522","8.8306","0.0003","10.0761","0.0003","17.1204","0.0006","90","","90","","90","","1523.34","0.09","294","2","294","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","1,2-O-isopropylidene-3-O-methyl-5-C-phenil-β-L-ido-pentofuranose","1,2-O-isopropylidene-3-O-methyl-5-C-phenil-β-L-ido-pentofuranose","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel O-methyl goniofufurone and 7-epi-goniofufurone derivatives: synthesis, in vitro cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.0425","0.0362","","","0.0849","0.0888","","","","","","1.047","","","","has coordinates","301860","2025-08-22","09:24:09","" "7122523","7.6832","0.0002","7.5202","0.0003","11.6492","0.0004","90","","91.533","0.003","90","","672.84","0.04","294","2","294","2","","","","","","","synthetic","3","P 1 21 1","P 2yb","4","3,6-Anhydro-2-deoxy-7-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone","3,6-Anhydro-2-deoxy-7-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone","","- C14 H16 O5 -","- C14 H16 O5 -","- C28 H32 O10 -","2","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel O-methyl goniofufurone and 7-epi-goniofufurone derivatives: synthesis, in vitro cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.0411","0.0387","","","0.0961","0.098","","","","","","1.063","","","","has coordinates","301860","2025-08-22","09:24:09","" "7122524","11.0585","0.0004","11.4256","0.0003","11.8876","0.0004","90","","90","","90","","1502","0.08","294","2","294","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","1,2-O-isopropylidene-3-O-methyl-5-C-phenil-α-D-gluco-pentofuranose","1,2-O-isopropylidene-3-O-methyl-5-C-phenil-α-D-gluco-pentofuranose","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel O-methyl goniofufurone and 7-epi-goniofufurone derivatives: synthesis, in vitro cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.0419","0.0389","","","0.096","0.0977","","","","","","1.087","","","","has coordinates","301860","2025-08-22","09:24:09","" "7122525","10.819","0.002","14.713","0.003","30.167","0.006","90","","96.24","0.03","90","","4773.5","1.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H70 N6 O10 -","- C48 H70 N6 O10 -","- C192 H280 N24 O40 -","4","2","","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 N-acylhydrazones and their antiviral activity.","MedChemComm","2018","9","12","2072","2082","10.1039/c8md00442k","","","0.80246","synchrotron","","0.0674","0.061","","","0.1517","0.1566","","","","","","1.042","","","","has coordinates","301860","2025-08-22","09:24:09","" "7122526","10.6401","0.0009","13.1077","0.0013","11.089","0.0011","90","","111.31","0.004","90","","1440.8","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N'-[(1R,2E,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylidene]-2-furohydrazide (-)","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","2","","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 N-acylhydrazones and their antiviral activity.","MedChemComm","2018","9","12","2072","2082","10.1039/c8md00442k","","","0.71073","MoKα","","0.0922","0.0469","","","0.1024","0.1221","","","","","","1.008","","","","has coordinates","301860","2025-08-22","09:24:09","" "7122527","10.949","0.002","15.752","0.003","31.273","0.006","90","","98.92","0.03","90","","5328.4","1.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H74 N6 O8 -","- C58 H74 N6 O8 -","- C232 H296 N24 O32 -","4","2","","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 N-acylhydrazones and their antiviral activity.","MedChemComm","2018","9","12","2072","2082","10.1039/c8md00442k","","","0.80246","synchrotron","","0.0975","0.0751","","","0.1601","0.1779","","","","","","1.012","","","","has coordinates","301860","2025-08-22","09:24:09","" "7122579","6.9872","0.0005","15.5151","0.001","19.425","0.0013","90","","98.467","0.002","90","","2082.9","0.2","136","2","136","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C H N O -","- C2.19048 H3.19048 N0.190476 O0.190476 -","- C92 H134 N8 O8 -","42","21","","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","2018","9","12","2091","2099","10.1039/c8md00487k","","","0.71073","MoKα","","0.0671","0.0484","","","0.1098","0.1195","","","","","","1.027","","","","has coordinates","230144","2020-10-21","18:00:00","" "7122580","10.3659","0.0009","7.0531","0.0006","16.9815","0.0015","90","","92.543","0.002","90","","1240.32","0.19","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H37 N3 O5 -","- C25 H37 N3 O5 -","- C50 H74 N6 O10 -","2","1","","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","2018","9","12","2091","2099","10.1039/c8md00487k","","","0.71073","MoKα","","0.0542","0.0443","","","0.1109","0.1165","","","","","","1.048","","","","has coordinates","301860","2025-08-22","09:24:09","" "7124502","10.093","0.003","10.384","0.003","10.818","0.003","78.634","0.004","65.151","0.004","71.085","0.004","970.8","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cu N4 O8 -","- C18 H14 Cu N4 O8 -","- C36 H28 Cu2 N8 O16 -","2","1","","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","2018","9","10","1663","1672","10.1039/c8md00223a","","","0.71073","MoKα","","0.0414","0.0332","","","0.0911","0.0964","","","","","","1.05","","","","has coordinates","301860","2025-08-22","09:26:36","" "7124503","9.784","0.008","12.52","0.011","15.403","0.013","90","","101.907","0.013","90","","1846","3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl2 Cu N2 O2 -","- C19 H16 Cl2 Cu N2 O2 -","- C76 H64 Cl8 Cu4 N8 O8 -","4","1","","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","2018","9","10","1663","1672","10.1039/c8md00223a","","","0.71073","MoKα","","0.0321","0.0254","","","0.067","0.0709","","","","","","1.047","","","","has coordinates","227867","2020-10-21","18:00:00","" "7124504","8.818","0.005","9.995","0.006","13.151","0.007","99.756","0.009","104.779","0.008","103.63","0.008","1056.2","1","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cu2 N4 O14 S2 -","- C38 H32 Cu2 N4 O14 S2 -","- C38 H32 Cu2 N4 O14 S2 -","1","0.5","","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","2018","9","10","1663","1672","10.1039/c8md00223a","","","0.71073","MoKα","","0.0909","0.0682","","","0.2084","0.2307","","","","","","1.063","","","","has coordinates,has disorder","227867","2020-10-21","18:00:00","" "7124505","7.24927","0.00018","12.5565","0.0003","19.2992","0.0005","90","","90","","90","","1756.72","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-{3-(benzyloxy)-2-methyl-4-oxopyridin-1(4H)-yl}ethyl)-2-methylprop-2-enamide","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","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","2018","9","7","1206","1212","10.1039/c8md00192h","","","1.54178","CuKα","","0.0322","0.0318","","","0.0836","0.0841","","","","","","1.062","","","","has coordinates","301860","2025-08-22","09:26:36","" "7124506","7.1337","0.0001","25.555","0.0005","7.1778","0.0001","90","","101.331","0.0007","90","","1283.02","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C48 H72 N8 O16 -","4","1","","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","2018","9","7","1206","1212","10.1039/c8md00192h","","","1.54178","CuKα","","0.039","0.0379","","","0.1017","0.1028","","","","","","1.048","","","","has coordinates","227868","2020-10-21","18:00:00",""