CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00236306" in compound.

Total 1 results found.

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 CFAMM00236306
Family CFFID1350 Adenosine receptor A2a and Adenosine receptor A3 Ligand 5-butyl-8-phenyl-3h-[1,2,4]triazolo[5,1-i]purine Family
Superfamily CFSID1076 Adenosine receptor A2a and Adenosine receptor A3 Ligand 5-butyl-8-phenyl-3h-[1,2,4]triazolo[5,1-i]purine Superfamily
Class CFCID704 Class 2054
External ID CHEMBL123203 External Source CHEMBL
PubChem CID 10860187 Functional Category Bioactive
Molecule Name 5-hexyl-8-phenyl-7H-[1,2,4]triazolo[5,1-f]purine
IUPAC Name 5-hexyl-8-phenyl-7H-[1,2,4]triazolo[5,1-f]purine
Synonyms CHEBI:301460
InChi InChI=1S/C18H20N6/c1-2-3-4-8-11-14-21-17-15(19-12-20-17)18-22-16(23-24(14)18)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,19,20)
InChiKey FXPQXNWVRJVPNB-UHFFFAOYSA-N
Formula C18H20N6 Molecular Weight 320.39
Cross Link CHEMBL123203
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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