CFam Chemical Families Database
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You are searching for "CFAMM00441240" 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 CFAMM00441240
Family CFFBM17231 Dual specificity mitogen-activated protein kinase kinase 1 inhibitor SureCN4122584 family
Superfamily CFSBM86 Vascular endothelial growth factor receptor 2 and Dual specificity mitogen-activated protein kinase kinase 1 Binder Superfamily
Class CFCAD481 Class 481
External ID CHEMBL524111 External Source CHEMBL
PubChem CID 44588814 Functional Category Bioactive
Molecule Name SureCN4123948
IUPAC Name 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-6-methoxy-7-[(E)-4-(4-methylpiperazin-1-yl)but-1-enyl]quinoline-3-carbonitrile
Synonyms CHEBI:614366
InChi InChI=1S/C30H32ClN7OS/c1-36-12-14-38(15-13-36)10-5-4-6-21-16-26-24(18-27(21)39-3)29(22(19-32)20-34-26)35-23-7-8-28(25(31)17-23)40-30-33-9-11-37(30)2/h4,6-9,11,16-18,20H,5,10,12-15H2,1-3H3,(H,34,35)/b6-4+
InChiKey WXUNOFVLABNPNZ-GQCTYLIASA-N
Formula C30H32ClN7OS Molecular Weight 574.14
Cross Link CHEMBL524111
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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