CFam Chemical Families Database
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You are searching for "CFAMM00140653" 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 CFAMM00140653
Family CFFCD165 Tyrosine-protein kinase Lck and Aurora kinase B Inhibitor VX-680 Family
Superfamily CFSCD150 Tyrosine-protein kinase Lck and Aurora kinase B Inhibitor VX-680 Superfamily
Class CFCCD122 Class 935
External ID CHEMBL561617 External Source CHEMBL
PubChem CID 45269587 Functional Category Bioactive
Molecule Name AGN-PC-07C4WB
IUPAC Name N-[4-[4-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide
Synonyms CHEBI:659552;N-[4-[4-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide
InChi InChI=1S/C20H22N6OS/c1-3-19(27)21-14-6-8-15(9-7-14)28-20-22-16(13-4-5-13)11-17(24-20)23-18-10-12(2)25-26-18/h6-11,13H,3-5H2,1-2H3,(H,21,27)(H2,22,23,24,25,26)
InChiKey AGHMFEHJWZVACU-UHFFFAOYSA-N
Formula C20H22N6OS Molecular Weight 394.49
Cross Link CHEMBL561617
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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