CFam Chemical Families Database
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You are searching for "CFAMM00268688" 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 CFAMM00268688
Family CFFID2460 Adenosine receptor A2b Ligand CVT-7124 Family
Superfamily CFSID1785 Adenosine receptor A2b Ligand CVT-7124 Superfamily
Class CFCCD473 Class 1286
External ID CHEMBL378020 External Source CHEMBL
PubChem CID 11496023 Functional Category Bioactive
Molecule Name SureCN1945191
IUPAC Name 1,3-dipropyl-8-[1-[(2,4,6-trifluorophenyl)methyl]pyrazol-4-yl]-7H-purine-2,6-dione
Synonyms CHEBI:449199
InChi InChI=1S/C21H21F3N6O2/c1-3-5-29-19-17(20(31)30(6-4-2)21(29)32)26-18(27-19)12-9-25-28(10-12)11-14-15(23)7-13(22)8-16(14)24/h7-10H,3-6,11H2,1-2H3,(H,26,27)
InChiKey MNTBZWJTRUMJSU-UHFFFAOYSA-N
Formula C21H21F3N6O2 Molecular Weight 446.43
Cross Link CHEMBL378020
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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