CFam Chemical Families Database
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You are searching for "CFAMM00445652" 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 CFAMM00445652
Family CFFBM18053 Epidermal growth factor receptor and Receptor tyrosine-protein kinase erbB-2 ligand AGN-PC-07R6AO family
Superfamily CFSBM1314 Aurora kinase A and Receptor-type tyrosine-protein kinase FLT3 Binder Superfamily
Class CFCCD331 Class 1144
External ID CHEMBL487555 External Source CHEMBL
PubChem CID 44589852 Functional Category Bioactive
Molecule Name AGN-PC-077RXG
IUPAC Name 4-[(2-amino-1,3-benzothiazol-6-yl)amino]-6-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
Synonyms CHEBI:616918;4-[(2-amino-1,3-benzothiazol-6-yl)amino]-6-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
InChi InChI=1S/C25H26N6O2S/c1-16-11-19-21(13-22(16)33-8-2-5-31-6-9-32-10-7-31)28-15-17(14-26)24(19)29-18-3-4-20-23(12-18)34-25(27)30-20/h3-4,11-13,15H,2,5-10H2,1H3,(H2,27,30)(H,28,29)
InChiKey BECGQBDLADDXNK-UHFFFAOYSA-N
Formula C25H26N6O2S Molecular Weight 474.58
Cross Link CHEMBL487555
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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