CFam Chemical Families Database
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You are searching for "CFAMM00148814" in compound.

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CFAM Mol ID CFAMM00148814
Family CFFCD297 Cannabinoid receptor 1 Ligand CP-945598 Family
Superfamily CFSCD273 Cannabinoid receptor 1 Binder Superfamily
Class CFCCD203 Class 1016
External ID CHEMBL498411 External Source CHEMBL
PubChem CID 25190879 Functional Category Bioactive
Molecule Name Purine antagonist, 3f
IUPAC Name 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-(4-methylpiperazin-1-yl)purine
Synonyms AGN-PC-04XLF5;9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-(4-methylpiperazin-1-yl)purine
InChi InChI=1S/C22H19Cl3N6/c1-29-8-10-30(11-9-29)21-19-22(27-13-26-21)31(16-5-2-14(23)3-6-16)20(28-19)17-7-4-15(24)12-18(17)25/h2-7,12-13H,8-11H2,1H3
InChiKey QMTPGEKECKOWFW-UHFFFAOYSA-N
Formula C22H19Cl3N6 Molecular Weight 473.79
Cross Link CHEMBL498411
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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