CFam Chemical Families Database
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You are searching for "CFAMM00402735" in compound.

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CFAM Mol ID CFAMM00402735
Family CFFBM10547 Tyrosine-protein kinase Mer and Tyrosine-protein kinase receptor UFO ligand 1-[(4-aminocyclohexyl)methyl]-N-(3-phenylpropyl)-3-(6-piperazin-1-ylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine family
Superfamily CFSID389 Aurora kinase B and Tyrosine-protein kinase Lck Binder Superfamily
Class CFCCD211 Class 1024
External ID CHEMBL503810 External Source CHEMBL
PubChem CID 44560719 Functional Category Bioactive
Molecule Name AGN-PC-078UW6
IUPAC Name 2-[4-[7-[4-[[4-[3-(6-aminopyridin-3-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanol
Synonyms CHEBI:548152;2-[4-[7-[4-[[4-[3-(6-aminopyridin-3-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanol
InChi InChI=1S/C38H41N11O/c39-33-11-10-30(23-40-33)37-43-36(45-46-37)29-12-14-48(15-13-29)25-26-6-8-28(9-7-26)34-32(27-4-2-1-3-5-27)22-31-24-41-38(44-35(31)42-34)49-18-16-47(17-19-49)20-21-50/h1-11,22-24,29,50H,12-21,25H2,(H2,39,40)(H,43,45,46)
InChiKey KOKMYZZUDCMIMA-UHFFFAOYSA-N
Formula C38H41N11O Molecular Weight 667.81
Cross Link CHEMBL503810
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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