CFam Chemical Families Database
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You are searching for "CFAMM00145410" 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 CFAMM00145410
Family CFFCD239 Abelson tyrosine-protein kinase 2 and Proto-oncogene tyrosine-protein kinase Src Inhibitor Bosutinib Family
Superfamily CFSCD217 Abelson tyrosine-protein kinase 2 and Proto-oncogene tyrosine-protein kinase Src Inhibitor Bosutinib Superfamily
Class CFCCD157 Class 970
External ID CHEMBL212629 External Source CHEMBL
PubChem CID 44414100 Functional Category Bioactive
Molecule Name AGN-PC-0763PY
IUPAC Name 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[2-[5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl]ethynyl]quinoline-3-carbonitrile
Synonyms CHEBI:454068;4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[2-[5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl]ethynyl]quinoline-3-carbonitrile
InChi InChI=1S/C31H28Cl2N6O2/c1-38-8-10-39(11-9-38)19-20-4-6-23(35-17-20)7-5-21-12-27-24(13-29(21)40-2)31(22(16-34)18-36-27)37-28-15-30(41-3)26(33)14-25(28)32/h4,6,12-15,17-18H,8-11,19H2,1-3H3,(H,36,37)
InChiKey QZNLPUUGKSRTEL-UHFFFAOYSA-N
Formula C31H28Cl2N6O2 Molecular Weight 587.50
Cross Link CHEMBL212629
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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