CFam Chemical Families Database
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You are searching for "CFAMM00228940" in compound.

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CFAM Mol ID CFAMM00228940
Family CFFID1135 Vascular endothelial growth factor receptor 1 and Vascular endothelial growth factor receptor 2 Ligand 3,6-di-pyridin-4-yl-pyrazolo[1,5-a]pyrimidine Family
Superfamily CFSID389 Aurora kinase B and Tyrosine-protein kinase Lck Binder Superfamily
Class CFCCD211 Class 1024
External ID CHEMBL487897 External Source CHEMBL
PubChem CID 44563016 Functional Category Bioactive
Molecule Name AGN-PC-078WCZ
IUPAC Name 3-N-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
Synonyms CHEBI:552899;3-N-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
InChi InChI=1S/C30H40N8O/c1-21-8-7-9-22(2)26(21)33-27-25-20-31-29(34-28(25)38(35-27)15-14-30(3,4)39-6)32-23-10-12-24(13-11-23)37-18-16-36(5)17-19-37/h7-13,20H,14-19H2,1-6H3,(H,33,35)(H,31,32,34)
InChiKey SMRCIXIIGDJROI-UHFFFAOYSA-N
Formula C30H40N8O Molecular Weight 528.69
Cross Link CHEMBL487897
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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