CFam Chemical Families Database
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You are searching for "CFAMM00162775" in compound.

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CFAM Mol ID CFAMM00162775
Family CFFCD521 Aurora kinase B and Aurora kinase C Inhibitor GSK1070916 Family
Superfamily CFSCD282 Aurora kinase B and Aurora kinase C Binder Superfamily
Class CFCCD211 Class 1024
External ID CHEMBL455071 External Source CHEMBL
PubChem CID 11672049 Functional Category Bioactive
Molecule Name AGN-PC-00DUBC
IUPAC Name 2-[4-[7-[4-[[4-[5-(1-hydroxypyridin-4-ylidene)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
Synonyms SureCN3891439;CHEBI:548159;2-[4-[7-[4-[[4-[5-(1-hydroxypyridin-4-ylidene)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
InChi InChI=1S/C40H45N11O/c1-47(2)20-21-48-22-24-50(25-23-48)40-41-27-34-26-35(30-6-4-3-5-7-30)36(42-37(34)44-40)31-10-8-29(9-11-31)28-49-16-12-32(13-17-49)38-43-39(46-45-38)33-14-18-51(52)19-15-33/h3-11,14-15,18-19,26-27,32H,12-13,16-17,20-25,28H2,1-2H3,(H,43,45,46)
InChiKey PERUTFYTKYMERA-UHFFFAOYSA-N
Formula C40H45N11O Molecular Weight 695.86
Cross Link CHEMBL455071
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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