CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00375693" in compound.

Total 1 results found.

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 CFAMM00375693
Family CFFBM6914 Bile acid receptor ligand 4-[[(2S)-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylacetyl]amino]-3-(trifluoromethyl)benzoic acid family
Superfamily CFSBM3956 NS5B protein and Bile acid receptor Binder Superfamily
Class CFCCD440 Class 1253
External ID CHEMBL110063 External Source CHEMBL
PubChem CID 44338308 Functional Category Bioactive
Molecule Name AGN-PC-074WRX
IUPAC Name methyl 4-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]benzoate
Synonyms CHEBI:278623;methyl 4-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]benzoate
InChi InChI=1S/C22H18ClN3O2/c1-28-21(27)16-8-12-18(13-9-16)24-22-25-19-4-2-3-5-20(19)26(22)14-15-6-10-17(23)11-7-15/h2-13H,14H2,1H3,(H,24,25)
InChiKey BIRXIMHINOMMAU-UHFFFAOYSA-N
Formula C22H18ClN3O2 Molecular Weight 391.85
Cross Link CHEMBL110063
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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