CFam Chemical Families Database
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You are searching for "CFAMM00228955" 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 CFAMM00228955
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 CHEMBL32153 External Source CHEMBL
PubChem CID 44282341 Functional Category Bioactive
Molecule Name AGN-PC-073JYK
IUPAC Name 4-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]benzoic acid
Synonyms CHEBI:148519;4-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]benzoic acid
InChi InChI=1S/C22H17F4NO5/c23-21(24)31-18-6-5-16(12-19(18)32-22(25)26)17(11-13-7-9-27(30)10-8-13)14-1-3-15(4-2-14)20(28)29/h1-10,12,17,21-22H,11H2,(H,28,29)
InChiKey DHYURGXXTBBTRE-UHFFFAOYSA-N
Formula C22H17F4NO5 Molecular Weight 451.37
Cross Link CHEMBL32153
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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