CFam Chemical Families Database
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You are searching for "CFAMM00298479" in compound.

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CFAM Mol ID CFAMM00298479
Family CFFID3845 Prostaglandin G/H synthase 2 Inhibitor 3,4-dibenzyloxy-2'-hydroxychalcone Family
Superfamily CFSID2620 Prostaglandin G/H synthase 2 and CGMP-dependent protein kinase Binder Superfamily
Class CFCAD543 Class 543
External ID CHEMBL96023 External Source CHEMBL
PubChem CID 44329882 Functional Category Bioactive
Molecule Name AGN-PC-074RW8
IUPAC Name 2-[2-[2-[[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenyl]methyl]pentoxy]phenoxy]benzoic acid
Synonyms 2-[2-[2-[[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenyl]methyl]pentoxy]phenoxy]benzoic acid
InChi InChI=1S/C33H33FO5/c1-3-9-22(18-25-20-29(35)28(19-23(25)4-2)24-14-16-26(34)17-15-24)21-38-31-12-7-8-13-32(31)39-30-11-6-5-10-27(30)33(36)37/h5-8,10-17,19-20,22,35H,3-4,9,18,21H2,1-2H3,(H,36,37)
InChiKey BQNQOMRESIJCJF-UHFFFAOYSA-N
Formula C33H33FO5 Molecular Weight 528.61
Cross Link CHEMBL96023
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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