CFam Chemical Families Database
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You are searching for "CFAMM00438835" in compound.

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CFAM Mol ID CFAMM00438835
Family CFFBM16620 Cannabinoid receptor 2 ligand AGN-PC-03LKW5 family
Superfamily CFSBM1014 Type-1 angiotensin II receptor and Coagulation factor X Binder Superfamily
Class CFCCD443 Class 1256
External ID CHEMBL453844 External Source CHEMBL
PubChem CID 44561307 Functional Category Bioactive
Molecule Name AGN-PC-078V9O
IUPAC Name [1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone
Synonyms CHEBI:549453;[1-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone
InChi InChI=1S/C26H31N3O2/c1-2-31-22-11-8-19(9-12-22)16-25-27-23-17-21(26(30)28-14-4-3-5-15-28)10-13-24(23)29(25)18-20-6-7-20/h8-13,17,20H,2-7,14-16,18H2,1H3
InChiKey PMJHXDFPKIOWGP-UHFFFAOYSA-N
Formula C26H31N3O2 Molecular Weight 417.54
Cross Link CHEMBL453844
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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