CFam Chemical Families Database
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You are searching for "CFAMM00313198" in compound.

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CFAM Mol ID CFAMM00313198
Family CFFBM555 Hydroxycarboxylic acid receptor 2 ligand AGN-PC-07ZGMC family
Superfamily CFSBM337 Hydroxycarboxylic acid receptor 2 Binder Superfamily 2
Class CFCCD415 Class 1228
External ID CHEMBL1084799 External Source CHEMBL
PubChem CID 46890580 Functional Category Bioactive
Molecule Name (4S,5R)-2-[3-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methyl-5-(2,3,5-trifluorophenyl)cyclohexene-1-carboxylic acid
IUPAC Name (4S,5R)-2-[3-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methyl-5-(2,3,5-trifluorophenyl)cyclohexene-1-carboxylic acid
Synonyms CHEBI:732435
InChi InChI=1S/C24H20F4N4O4/c1-11-6-19(16(24(34)35)9-14(11)15-7-13(26)8-17(27)22(15)28)30-20(33)4-5-21-31-23(32-36-21)18-3-2-12(25)10-29-18/h2-3,7-8,10-11,14H,4-6,9H2,1H3,(H,30,33)(H,34,35)/t11-,14+/m0/s1
InChiKey ZZCJGLUZCDJRRY-SMDDNHRTSA-N
Formula C24H20F4N4O4 Molecular Weight 504.43
Cross Link CHEMBL1084799
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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