CFam Chemical Families Database
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You are searching for "CFAMM00224760" 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 CFAMM00224760
Family CFFID1005 Peroxisome proliferator-activated receptor gamma Ligand (2s)-2-(4-ethylphenoxy)-3-phenylpropanoic Acid Family
Superfamily CFSID825 Peroxisome proliferator-activated receptor gamma Ligand (2s)-2-(4-ethylphenoxy)-3-phenylpropanoic Acid Superfamily
Class CFCAD614 Class 614
External ID CHEMBL1777860 External Source CHEMBL
PubChem CID 54580624 Functional Category Bioactive
Molecule Name AGN-PC-0A9Q9I
IUPAC Name 3-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]hex-4-ynoic acid
Synonyms CHEBI:1246317;3-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]hex-4-ynoic acid
InChi InChI=1S/C20H17F3O3/c1-3-4-15(12-19(24)25)14-5-8-17(9-6-14)26-18-10-7-16(11-13(18)2)20(21,22)23/h5-11,15H,12H2,1-2H3,(H,24,25)
InChiKey HDZWIFIVSXGBEY-UHFFFAOYSA-N
Formula C20H17F3O3 Molecular Weight 362.34
Cross Link CHEMBL1777860
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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