CFam Chemical Families Database
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You are searching for "CFAMM00381165" in compound.

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CFAM Mol ID CFAMM00381165
Family CFFBM7550 Prothrombin inhibitor (3R,6S,8aS)-N-[5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-8a-methyl-5-oxo-6-[2-(trifluoromethyl)quinolin-6-yl]-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide;hydrochloride family
Superfamily CFSBM243 Prothrombin and Coagulation factor X Binder Superfamily
Class CFCID726 Class 2076
External ID CHEMBL170318 External Source CHEMBL
PubChem CID 49796860 Functional Category Bioactive
Molecule Name (3R,6S,8aS)-N-[5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-8a-methyl-5-oxo-6-[2-(trifluoromethyl)quinolin-6-yl]-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide;hydrochloride
IUPAC Name (3R,6S,8aS)-N-[5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-8a-methyl-5-oxo-6-[2-(trifluoromethyl)quinolin-6-yl]-3,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide;hydrochloride
Synonyms
InChi InChI=1S/C28H30F3N7O3S2.ClH/c1-27-9-8-17(15-4-6-18-16(13-15)5-7-21(36-18)28(29,30)31)25(41)38(27)20(14-43-27)23(40)37-19(3-2-10-35-26(32)33)22(39)24-34-11-12-42-24;/h4-7,11-13,17,19-20H,2-3,8-10,14H2,1H3,(H,37,40)(H4,32,33,35);1H/t17-,19?,20-,27-;/m0./s1
InChiKey XSWJLSCJZGXHEB-JNMRDGSYSA-N
Formula C28H31ClF3N7O3S2 Molecular Weight 670.17
Cross Link CHEMBL170318
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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