CFam Chemical Families Database
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You are searching for "CFAMM00314767" in compound.

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CFAM Mol ID CFAMM00314767
Family CFFBM728 Tyrosine-protein kinase JAK2 and Potassium voltage-gated channel subfamily H member 2 ligand 2-N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine family
Superfamily CFSCD9 Aurora kinase B and Aurora kinase A Inhibitor CYC116 Superfamily
Class CFCCD4 Class 817
External ID CHEMBL1087268 External Source CHEMBL
PubChem CID 25104740 Functional Category Bioactive
Molecule Name 2-N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine
IUPAC Name 2-N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine
Synonyms CHEBI:713878
InChi InChI=1S/C20H25FN8S/c1-13-11-23-20(30-13)26-17-10-18(29-8-6-28(3)7-9-29)27-19(25-17)24-14(2)16-5-4-15(21)12-22-16/h4-5,10-12,14H,6-9H2,1-3H3,(H2,23,24,25,26,27)/t14-/m0/s1
InChiKey RIZYPSQRIHNRNS-AWEZNQCLSA-N
Formula C20H25FN8S Molecular Weight 428.53
Cross Link CHEMBL1087268
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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