CFAM Mol ID	CFAMM00408847
Family	CFFBM11381 Coagulation factor X inhibitor 1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-3-(trifluoromethyl)-4H-pyrazolo[4,3-c]pyridazin-7-one family
Superfamily	CFSID1554 Coagulation factor X and Prothrombin Inhibitor BMS-740808 Superfamily
Class	CFCID995 Class 2345
External ID	CHEMBL214730	External Source	CHEMBL
PubChem CID	23646320	Functional Category	Bioactive
Molecule Name	5-amino-1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-3-(trifluoromethyl)-4H-pyrazolo[4,3-b]pyridin-7-one
IUPAC Name	5-amino-1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-3-(trifluoromethyl)-4H-pyrazolo[4,3-b]pyridin-7-one
Synonyms	pyrazolo[4,3-b]pyridinone 26e
InChi	InChI=1S/C32H28F3N7O3/c33-32(34,35)29-26-27(42(39-29)20-9-10-24-23(15-20)30(36)40-45-24)28(44)25(31(37)38-26)18-7-5-17(6-8-18)22-4-2-1-3-19(22)16-41-13-11-21(43)12-14-41/h1-10,15,21,43H,11-14,16H2,(H2,36,40)(H3,37,38,44)
InChiKey	JKTNGLROJHNUKW-UHFFFAOYSA-N
Formula	C32H28F3N7O3	Molecular Weight	615.61
Cross Link	CHEMBL214730
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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