CFam Chemical Families Database
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You are searching for "CFAMM00228975" in compound.

Total 1 results found.

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 CFAMM00228975
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 CHEMBL408345 External Source CHEMBL
PubChem CID 44332880 Functional Category Bioactive
Molecule Name AGN-PC-074TNG
IUPAC Name 1-[4-[2-[3,4-bis(difluoromethoxy)phenyl]-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]ethyl]-1-oxidopyridin-1-ium-3-yl]ethanone
Synonyms CHEBI:267336;1-[4-[2-[3,4-bis(difluoromethoxy)phenyl]-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]ethyl]-1-oxidopyridin-1-ium-3-yl]ethanone
InChi InChI=1S/C26H19F10NO5/c1-13(38)19-12-37(40)9-8-16(19)10-18(15-4-7-20(41-22(27)28)21(11-15)42-23(29)30)14-2-5-17(6-3-14)24(39,25(31,32)33)26(34,35)36/h2-9,11-12,18,22-23,39H,10H2,1H3
InChiKey MRMYLNGCVNQSLI-UHFFFAOYSA-N
Formula C26H19F10NO5 Molecular Weight 615.42
Cross Link CHEMBL408345
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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