CFam Chemical Families Database
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You are searching for "CFAMM00145374" in compound.

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CFAM Mol ID CFAMM00145374
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 CHEMBL102727 External Source CHEMBL
PubChem CID 5330460 Functional Category Bioactive
Molecule Name AC1NS96E
IUPAC Name 4-(2,4-dichloro-5-methoxyanilino)-7-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]quinoline-3-carbonitrile
Synonyms 4-Anilino-7-phenyl-3-quinolinecarbonitrile 15n;SureCN3227471;4-(2,4-dichloro-5-methoxyanilino)-7-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]quinoline-3-carbonitrile
InChi InChI=1S/C30H29Cl2N5O2/c1-39-29-16-28(25(31)15-26(29)32)35-30-23(17-33)18-34-27-14-22(6-7-24(27)30)21-4-2-20(3-5-21)19-37-10-8-36(9-11-37)12-13-38/h2-7,14-16,18,38H,8-13,19H2,1H3,(H,34,35)
InChiKey ADOFRAKFUNLXFZ-UHFFFAOYSA-N
Formula C30H29Cl2N5O2 Molecular Weight 562.49
Cross Link CHEMBL102727
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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