CFam Chemical Families Database
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You are searching for "CFAMM00162409" 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 CFAMM00162409
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 CHEMBL1097603 External Source CHEMBL
PubChem CID 44607528 Functional Category Bioactive
Molecule Name AGN-PC-079GRH
IUPAC Name 3-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-1,1-dimethylurea
Synonyms CHEBI:724295;3-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-1,1-dimethylurea
InChi InChI=1S/C30H36N8O2/c1-35(2)30(39)32-24-10-8-23(9-11-24)27-33-28(37-16-18-40-19-17-37)26-20-31-38(29(26)34-27)25-12-14-36(15-13-25)21-22-6-4-3-5-7-22/h3-11,20,25H,12-19,21H2,1-2H3,(H,32,39)
InChiKey SYONYYWDEUIWEP-UHFFFAOYSA-N
Formula C30H36N8O2 Molecular Weight 540.66
Cross Link CHEMBL1097603
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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