CFam Chemical Families Database
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You are searching for "CFAMM00382415" in compound.

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CFAM Mol ID CFAMM00382415
Family CFFBM7702 Coagulation factor X inhibitor AGN-PC-046RMH family
Superfamily CFSID1554 Coagulation factor X and Prothrombin Inhibitor BMS-740808 Superfamily
Class CFCID995 Class 2345
External ID CHEMBL246945 External Source CHEMBL
PubChem CID 23648150 Functional Category Bioactive
Molecule Name AGN-PC-046RMH
IUPAC Name 2-(3-amino-1,2-benzoxazol-5-yl)-N-[1-[2-[[ethyl(methyl)amino]methyl]phenyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-3-carboxamide
Synonyms Pyrazole-based inhibitor containing N-arylpiperidiny, 9e;2-(3-amino-1,2-benzoxazol-5-yl)-N-[1-[2-[[ethyl(methyl)amino]methyl]phenyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-3-carboxamide
InChi InChI=1S/C27H30F3N7O2/c1-3-35(2)16-17-6-4-5-7-21(17)36-12-10-18(11-13-36)32-26(38)22-15-24(27(28,29)30)33-37(22)19-8-9-23-20(14-19)25(31)34-39-23/h4-9,14-15,18H,3,10-13,16H2,1-2H3,(H2,31,34)(H,32,38)
InChiKey AKDHCBCCGAELNG-UHFFFAOYSA-N
Formula C27H30F3N7O2 Molecular Weight 541.57
Cross Link CHEMBL246945
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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