CFam Chemical Families Database
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You are searching for "CFAMM00335803" in compound.

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CFAM Mol ID CFAMM00335803
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 CHEMBL372160 External Source CHEMBL
PubChem CID 44406581 Functional Category Bioactive
Molecule Name AGN-PC-075YYP
IUPAC Name N-[2-methyl-4-[5-[2-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)anilino]pyrimidin-4-yl]thiophen-2-yl]butan-2-yl]acetamide
Synonyms CHEBI:435245;N-[2-methyl-4-[5-[2-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)anilino]pyrimidin-4-yl]thiophen-2-yl]butan-2-yl]acetamide
InChi InChI=1S/C31H40N6O2S/c1-22(38)35-31(2,3)16-12-26-10-11-28(40-26)27-13-17-32-30(34-27)33-24-8-6-23(7-9-24)29(39)37-20-14-25(15-21-37)36-18-4-5-19-36/h6-11,13,17,25H,4-5,12,14-16,18-21H2,1-3H3,(H,35,38)(H,32,33,34)
InChiKey LBJKDVWECYXKJZ-UHFFFAOYSA-N
Formula C31H40N6O2S Molecular Weight 560.75
Cross Link CHEMBL372160
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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