CFam Chemical Families Database
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You are searching for "CFAMM00228953" 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 CFAMM00228953
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 CHEMBL299931 External Source CHEMBL
PubChem CID 9829952 Functional Category Bioactive
Molecule Name [5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]pyridin-2-yl]-diphenylmethanol
IUPAC Name [5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]pyridin-2-yl]-diphenylmethanol
Synonyms CHEBI:188555
InChi InChI=1S/C33H26F4N2O4/c34-31(35)42-28-13-11-23(20-29(28)43-32(36)37)27(19-22-15-17-39(41)18-16-22)24-12-14-30(38-21-24)33(40,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-18,20-21,27,31-32,40H,19H2
InChiKey WXQOCYZXRSOMGS-UHFFFAOYSA-N
Formula C33H26F4N2O4 Molecular Weight 590.56
Cross Link CHEMBL299931
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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