CFam Chemical Families Database
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You are searching for "CFAMM00449611" 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 CFAMM00449611
Family CFFBM18895 Cannabinoid receptor 1 ligand AGN-PC-07NHI2 family
Superfamily CFSAD222 Cannabinoid receptor 1 Ligand Rimonabant Superfamily
Class CFCAD213 Class 213
External ID CHEMBL589162 External Source CHEMBL
PubChem CID 46225189 Functional Category Bioactive
Molecule Name AGN-PC-07R5YO
IUPAC Name 2-[3-(5-bromo-1,3-dihydroisoindole-2-carbonyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl]acetonitrile
Synonyms CHEBI:691016;2-[3-(5-bromo-1,3-dihydroisoindole-2-carbonyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-4-yl]acetonitrile
InChi InChI=1S/C26H17BrCl2N4O/c27-19-8-5-17-14-32(15-18(17)13-19)26(34)24-21(11-12-30)25(16-6-9-20(28)10-7-16)33(31-24)23-4-2-1-3-22(23)29/h1-10,13H,11,14-15H2
InChiKey KEMWCCPIKZIGDG-UHFFFAOYSA-N
Formula C26H17BrCl2N4O Molecular Weight 552.25
Cross Link CHEMBL589162
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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