CFAM Mol ID	CFAMM00408848
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	CHEMBL218131	External Source	CHEMBL
PubChem CID	11497599	Functional Category	Bioactive
Molecule Name	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
IUPAC Name	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
Synonyms	pyrazolo[4,3-c]pyridazinone 26f
InChi	InChI=1S/C28H22F3N7O2/c1-37(2)14-17-5-3-4-6-19(17)15-7-9-16(10-8-15)22-25(39)24-23(34-33-22)26(28(29,30)31)35-38(24)18-11-12-21-20(13-18)27(32)36-40-21/h3-13H,14H2,1-2H3,(H2,32,36)(H,34,39)
InChiKey	IHADKCDCROVAKF-UHFFFAOYSA-N
Formula	C28H22F3N7O2	Molecular Weight	545.52
Cross Link	CHEMBL218131
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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