CFam Chemical Families Database
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You are searching for "CFAMM00296037" in compound.

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CFAM Mol ID CFAMM00296037
Family CFFID3681 Gamma-aminobutyric acid receptor subunit alpha-1 and Gamma-aminobutyric acid receptor subunit beta-2 Ligand 4-(4-chlorophenyl)-1-pyrid-2-yl-pyrazole Family
Superfamily CFSID1252 Metabotropic glutamate receptor 5 and Gamma-aminobutyric acid receptor subunit beta-2 Binder Superfamily
Class CFCCD340 Class 1153
External ID CHEMBL235758 External Source CHEMBL
PubChem CID 23656074 Functional Category Bioactive
Molecule Name SureCN10034006
IUPAC Name 1-(2-chloro-2-phenylethyl)-N-[2-(3-chlorophenyl)ethyl]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
Synonyms AGN-PC-046XD3;CHEBI:502582;1-(2-chloro-2-phenyl-ethyl)-N-[2-(3-chlorophenyl)ethyl]-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-2-phenylethyl)-N-[2-(3-chlorophenyl)ethyl]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;N-[2-(3-Chlorophenyl)ethyl]-1-(2-chloro-2-phenylethyl)-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
InChi InChI=1S/C22H21Cl2N5S/c1-30-22-27-20(25-11-10-15-6-5-9-17(23)12-15)18-13-26-29(21(18)28-22)14-19(24)16-7-3-2-4-8-16/h2-9,12-13,19H,10-11,14H2,1H3,(H,25,27,28)
InChiKey JBEFUXQRLMDHHE-UHFFFAOYSA-N
Formula C22H21Cl2N5S Molecular Weight 458.41
Cross Link CHEMBL235758
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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