CFam Chemical Families Database
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You are searching for "CFAMM00449589" 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 CFAMM00449589
Family CFFBM18893 Testosterone 17-beta-dehydrogenase 3 and Estrogen receptor ligand AGN-PC-04XRWP family
Superfamily CFSBM7435 Inositol monophosphatase 1 and Testosterone 17-beta-dehydrogenase 3 Binder Superfamily
Class CFCID702 Class 2052
External ID CHEMBL590613 External Source CHEMBL
PubChem CID 25225057 Functional Category Bioactive
Molecule Name AGN-PC-04XRS6
IUPAC Name 7-hydroxy-3-(pyridin-2-ylsulfanylmethyl)-4-(trifluoromethyl)chromen-2-one
Synonyms CHEBI:690730;7-hydroxy-3-(pyridin-2-ylsulfanylmethyl)-4-(trifluoromethyl)chromen-2-one
InChi InChI=1S/C16H10F3NO3S/c17-16(18,19)14-10-5-4-9(21)7-12(10)23-15(22)11(14)8-24-13-3-1-2-6-20-13/h1-7,21H,8H2
InChiKey PLZKAFGORXTHTA-UHFFFAOYSA-N
Formula C16H10F3NO3S Molecular Weight 353.32
Cross Link CHEMBL590613
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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