CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00143135" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00143135
Family CFFCD204 Adenosine receptor A2a Ligand KW-6002 Family
Superfamily CFSCD185 Adenosine receptor A2a Ligand KW-6002 Superfamily
Class CFCCD146 Class 959
External ID CHEMBL182779 External Source CHEMBL
PubChem CID 10182058 Functional Category Bioactive
Molecule Name SureCN6322579
IUPAC Name 3-(2,4-dichlorophenyl)-8-ethyl-7-[(4-methoxyphenyl)methyl]-1-methyl-2H-purin-6-one
Synonyms CHEBI:405750
InChi InChI=1S/C22H22Cl2N4O2/c1-4-19-25-21-20(27(19)12-14-5-8-16(30-3)9-6-14)22(29)26(2)13-28(21)18-10-7-15(23)11-17(18)24/h5-11H,4,12-13H2,1-3H3
InChiKey KSHBMCZFJASQGT-UHFFFAOYSA-N
Formula C22H22Cl2N4O2 Molecular Weight 445.34
Cross Link CHEMBL182779
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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