CFam Chemical Families Database
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You are searching for "CFAMM00335800" in compound.

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CFAM Mol ID CFAMM00335800
Family CFFBM2591 Serine/threonine-protein kinase Chk1 inhibitor 2-(1-methylindol-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide family
Superfamily CFSBM272 Serine/threonine-protein kinase Chk1 and Cyclin-dependent kinase 7 Binder Superfamily
Class CFCBM105 Class 3155
External ID CHEMBL382945 External Source CHEMBL
PubChem CID 44406586 Functional Category Bioactive
Molecule Name AGN-PC-075YYS
IUPAC Name [4-[[4-[5-(3-amino-3-ethylpentyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
Synonyms CHEBI:435251;[4-[[4-[5-(3-amino-3-ethylpentyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
InChi InChI=1S/C31H42N6OS/c1-3-31(32,4-2)17-13-26-11-12-28(39-26)27-14-18-33-30(35-27)34-24-9-7-23(8-10-24)29(38)37-21-15-25(16-22-37)36-19-5-6-20-36/h7-12,14,18,25H,3-6,13,15-17,19-22,32H2,1-2H3,(H,33,34,35)
InChiKey OHOGGIZZDHRWBN-UHFFFAOYSA-N
Formula C31H42N6OS Molecular Weight 546.77
Cross Link CHEMBL382945
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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