CFam Chemical Families Database
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You are searching for "CFAMM00331084" in compound.

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CFAM Mol ID CFAMM00331084
Family CFFBM2179 Adenosine receptor A3 ligand SureCN6627522 family
Superfamily CFSBM1214 Adenosine receptor A3 and Casein kinase II subunit alpha Binder Superfamily
Class CFCCD47 Class 860
External ID CHEMBL332800 External Source CHEMBL
PubChem CID 9930740 Functional Category Bioactive
Molecule Name SureCN6627522
IUPAC Name 4-[8-(4-phenylphenyl)-7H-[1,2,4]triazolo[5,1-f]purin-5-yl]butanoic acid
Synonyms CHEBI:305043
InChi InChI=1S/C22H18N6O2/c29-18(30)8-4-7-17-25-21-19(23-13-24-21)22-26-20(27-28(17)22)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2,(H,23,24)(H,29,30)
InChiKey OYQOWKWBEOPZQB-UHFFFAOYSA-N
Formula C22H18N6O2 Molecular Weight 398.42
Cross Link CHEMBL332800
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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