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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Dr. Chen Yuzong

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

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