CFam Chemical Families Database
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You are searching for "CFAMM00228983" in compound.

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CFAM Mol ID CFAMM00228983
Family CFFID1137 Estradiol 17-beta-dehydrogenase 1 Inhibitor 4'-(6-methoxypyridin-3-yl)biphenyl-3-ol Family
Superfamily CFSID922 Estradiol 17-beta-dehydrogenase 1 and DNA topoisomerase 1 Binder Superfamily
Class CFCID641 Class 1991
External ID CHEMBL35954 External Source CHEMBL
PubChem CID 44282647 Functional Category Bioactive
Molecule Name AGN-PC-073K3X
IUPAC Name 2-[3-[4-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]phenyl]phenyl]-2-methylpropanoic acid
Synonyms CHEBI:149106;2-[3-[4-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]phenyl]phenyl]-2-methylpropanoic acid
InChi InChI=1S/C31H27F4NO5/c1-31(2,28(37)38)24-5-3-4-22(17-24)20-6-8-21(9-7-20)25(16-19-12-14-36(39)15-13-19)23-10-11-26(40-29(32)33)27(18-23)41-30(34)35/h3-15,17-18,25,29-30H,16H2,1-2H3,(H,37,38)
InChiKey OYWPKJMMVVHGCE-UHFFFAOYSA-N
Formula C31H27F4NO5 Molecular Weight 569.54
Cross Link CHEMBL35954
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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