CFam Chemical Families Database
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You are searching for "CFAMM00449806" 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 CFAMM00449806
Family CFFBM18929 Peroxisome proliferator-activated receptor gamma ligand AGN-PC-07RBFI family
Superfamily CFSBM7444 Epidermal growth factor receptor and Proto-oncogene tyrosine-protein kinase Src Binder Superfamily
Class CFCID644 Class 1994
External ID CHEMBL606422 External Source CHEMBL
PubChem CID 46233039 Functional Category Bioactive
Molecule Name AGN-PC-07RBFI
IUPAC Name 2-[4-[[2-methyl-3-methylsulfanyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
Synonyms CHEBI:703234;2-[4-[[2-methyl-3-methylsulfanyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
InChi InChI=1S/C34H32N2O3S/c1-4-30(25-10-6-5-7-11-25)35-33(37)26-18-19-31-29(20-26)32(40-3)22(2)36(31)21-23-14-16-24(17-15-23)27-12-8-9-13-28(27)34(38)39/h5-20,30H,4,21H2,1-3H3,(H,35,37)(H,38,39)
InChiKey CDIKORAYWDUOQC-UHFFFAOYSA-N
Formula C34H32N2O3S Molecular Weight 548.69
Cross Link CHEMBL606422
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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