CFam Chemical Families Database
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You are searching for "CFAMM00449612" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00449612
Family CFFBM18895 Cannabinoid receptor 1 ligand AGN-PC-07NHI2 family
Superfamily CFSAD222 Cannabinoid receptor 1 Ligand Rimonabant Superfamily
Class CFCAD213 Class 213
External ID CHEMBL590387 External Source CHEMBL
PubChem CID 46224814 Functional Category Bioactive
Molecule Name AGN-PC-07NHJ4
IUPAC Name N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)pyrazole-3-carboxamide
Synonyms CHEBI:690396;N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)pyrazole-3-carboxamide
InChi InChI=1S/C25H16BrCl2FN4O/c26-19-13-15(5-10-21(19)29)14-31-25(34)23-18(11-12-30)24(16-6-8-17(27)9-7-16)33(32-23)22-4-2-1-3-20(22)28/h1-10,13H,11,14H2,(H,31,34)
InChiKey RAJBNWQWTHKCHD-UHFFFAOYSA-N
Formula C25H16BrCl2FN4O Molecular Weight 558.23
Cross Link CHEMBL590387
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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