CFam Chemical Families Database
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You are searching for "CFAMM00329411" in compound.

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CFAM Mol ID CFAMM00329411
Family CFFBM2000 Adenosine receptor A3 ligand 5-butyl-8-(4-methylsulfanylphenyl)-7H-[1,2,4]triazolo[5,1-f]purine family
Superfamily CFSBM75 Adenosine receptor A3 and Adenosine receptor A1 Binder Superfamily
Class CFCBM32 Class 3082
External ID CHEMBL122987 External Source CHEMBL
PubChem CID 11121308 Functional Category Bioactive
Molecule Name 5-butyl-8-(4-methylsulfanylphenyl)-7H-[1,2,4]triazolo[5,1-f]purine
IUPAC Name 5-butyl-8-(4-methylsulfanylphenyl)-7H-[1,2,4]triazolo[5,1-f]purine
Synonyms CHEBI:301617
InChi InChI=1S/C17H18N6S/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,19)
InChiKey MPGILOKFHVTRBA-UHFFFAOYSA-N
Formula C17H18N6S Molecular Weight 338.43
Cross Link CHEMBL122987
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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