CFam Chemical Families Database
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You are searching for "CFAMM00450067" 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 CFAMM00450067
Family CFFBM18966 Mitogen-activated protein kinase 14 inhibitor AGN-PC-07R77D family
Superfamily CFSCD617 Aurora kinase A Inhibitor ABT-348 Superfamily
Class CFCCD437 Class 1250
External ID CHEMBL594839 External Source CHEMBL
PubChem CID 11717079 Functional Category Bioactive
Molecule Name AGN-PC-00EQ1S
IUPAC Name 5-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
Synonyms CHEBI:694002;5-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
InChi InChI=1S/C15H12ClF2N3S/c1-8(2)15-20-19-13-6-5-12(14(16)21(13)15)22-11-4-3-9(17)7-10(11)18/h3-8H,1-2H3
InChiKey XDFGHQBNCYQDDN-UHFFFAOYSA-N
Formula C15H12ClF2N3S Molecular Weight 339.79
Cross Link CHEMBL594839
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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