CFam Chemical Families Database
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You are searching for "CFAMM00375689" 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 CFAMM00375689
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 CHEMBL1668247 External Source CHEMBL
PubChem CID 44198480 Functional Category Bioactive
Molecule Name AGN-PC-072FGM
IUPAC Name 3-[4-[[2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylacetyl]amino]phenyl]propanoic acid
Synonyms SureCN3445046;CHEBI:1166868;3-[4-[[2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylacetyl]amino]phenyl]propanoic acid
InChi InChI=1S/C30H28ClF2N3O3/c31-21-11-9-20(10-12-21)29-35-25-16-23(32)24(33)17-26(25)36(29)28(19-4-2-1-3-5-19)30(39)34-22-13-6-18(7-14-22)8-15-27(37)38/h6-7,9-14,16-17,19,28H,1-5,8,15H2,(H,34,39)(H,37,38)
InChiKey OTFYNSKFYNUAPX-UHFFFAOYSA-N
Formula C30H28ClF2N3O3 Molecular Weight 552.01
Cross Link CHEMBL1668247
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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