CFam Chemical Families Database
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You are searching for "CFAMM00449590" 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 CFAMM00449590
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 CHEMBL590379 External Source CHEMBL
PubChem CID 46225006 Functional Category Bioactive
Molecule Name AGN-PC-07R5TS
IUPAC Name 3-chloro-7-hydroxy-4-[(6-methylpyridin-2-yl)sulfanylmethyl]chromen-2-one
Synonyms CHEBI:690729;3-chloro-7-hydroxy-4-[(6-methylpyridin-2-yl)sulfanylmethyl]chromen-2-one
InChi InChI=1S/C16H12ClNO3S/c1-9-3-2-4-14(18-9)22-8-12-11-6-5-10(19)7-13(11)21-16(20)15(12)17/h2-7,19H,8H2,1H3
InChiKey LGVQVMQXMHWBKN-UHFFFAOYSA-N
Formula C16H12ClNO3S Molecular Weight 333.79
Cross Link CHEMBL590379
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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