CFam Chemical Families Database
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You are searching for "CFAMM00241461" in compound.

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CFAM Mol ID CFAMM00241461
Family CFFID1520 Mitogen-activated protein kinase 14 Inhibitor 9-benzyl-6-phenylsulfanyl-9h-purine Family
Superfamily CFSID1186 Mitogen-activated protein kinase 14 Binder Superfamily
Class CFCID792 Class 2142
External ID CHEMBL190711 External Source CHEMBL
PubChem CID 11361323 Functional Category Bioactive
Molecule Name AGN-PC-007K7O
IUPAC Name 9-[(4-methylphenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine
Synonyms CHEBI:414020;9H-Purine, 9-[(4-methylphenyl)methyl]-6-[[(4-nitrophenyl)methyl]thio]-
InChi InChI=1S/C20H17N5O2S/c1-14-2-4-15(5-3-14)10-24-13-23-18-19(24)21-12-22-20(18)28-11-16-6-8-17(9-7-16)25(26)27/h2-9,12-13H,10-11H2,1H3
InChiKey FPGOXVLDJSDIAV-UHFFFAOYSA-N
Formula C20H17N5O2S Molecular Weight 391.45
Cross Link CHEMBL190711
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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