CFam Chemical Families Database
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You are searching for "CFAMM00268669" in compound.

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CFAM Mol ID CFAMM00268669
Family CFFID2460 Adenosine receptor A2b Ligand CVT-7124 Family
Superfamily CFSID1785 Adenosine receptor A2b Ligand CVT-7124 Superfamily
Class CFCCD473 Class 1286
External ID CHEMBL210938 External Source CHEMBL
PubChem CID 11575498 Functional Category Bioactive
Molecule Name SureCN1945880
IUPAC Name 8-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
Synonyms CHEBI:449699
InChi InChI=1S/C21H23ClN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25)
InChiKey BHVNIIMPUODVIW-UHFFFAOYSA-N
Formula C21H23ClN6O2 Molecular Weight 426.90
Cross Link CHEMBL210938
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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