CFam Chemical Families Database
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You are searching for "CFAMM00236309" 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 CFAMM00236309
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 CHEMBL1091917 External Source CHEMBL
PubChem CID 46884687 Functional Category Bioactive
Molecule Name AGN-PC-07ZCLY
IUPAC Name 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]tetrazole
Synonyms CHEBI:721071;2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]tetrazole
InChi InChI=1S/C18H24N6/c1-4-18(2,3)11-15-12-19-17(22-15)10-7-14-5-8-16(9-6-14)24-21-13-20-23-24/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3,(H,19,22)
InChiKey GMVHACDFLPWRML-UHFFFAOYSA-N
Formula C18H24N6 Molecular Weight 324.42
Cross Link CHEMBL1091917
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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