CFam Chemical Families Database
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You are searching for "CFAMM00066994" in compound.

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CFAM Mol ID CFAMM00066994
Family CFFAD456 Cyclooxygenase Inhibitor Flurbiprofen Family
Superfamily CFSAD395 Cyclooxygenase Inhibitor Flurbiprofen Superfamily
Class CFCAD368 Class 368
External ID CHEMBL2315542 External Source CHEMBL
PubChem CID 58319139 Functional Category Bioactive
Molecule Name AGN-PC-0CCG8N
IUPAC Name 3-[4-[2-(2,6-dimethylphenyl)ethynyl]phenyl]propanoic acid
Synonyms SureCN1551391;3-[4-[2-(2,6-dimethylphenyl)ethynyl]phenyl]propanoic acid
InChi InChI=1S/C19H18O2/c1-14-4-3-5-15(2)18(14)12-10-16-6-8-17(9-7-16)11-13-19(20)21/h3-9H,11,13H2,1-2H3,(H,20,21)
InChiKey UCKFCXACEDGETH-UHFFFAOYSA-N
Formula C19H18O2 Molecular Weight 278.35
Cross Link CHEMBL2315542
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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