CFam Chemical Families Database
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You are searching for "CFAMM00245453" in compound.

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CFAM Mol ID CFAMM00245453
Family CFFID1650 Adenosine receptor A1 and Adenosine receptor A2a Ligand GW-328267 Family
Superfamily CFSID1282 Adenosine receptor A1 and Adenosine receptor A2a Binder Superfamily 4
Class CFCAD652 Class 652
External ID CHEMBL218505 External Source CHEMBL
PubChem CID 16094565 Functional Category Bioactive
Molecule Name (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)-2-[4-(4-propoxyphenyl)triazol-1-yl]purin-9-yl]oxolane-3,4-diol
IUPAC Name (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)-2-[4-(4-propoxyphenyl)triazol-1-yl]purin-9-yl]oxolane-3,4-diol
Synonyms CTK3I1596;CHEBI:464464;Adenosine, N-methyl-2-[4-(4-propoxyphenyl)-1H-1,2,3-triazol-1-yl]-;906670-53-9
InChi InChI=1S/C22H26N8O5/c1-3-8-34-13-6-4-12(5-7-13)14-9-30(28-27-14)22-25-19(23-2)16-20(26-22)29(11-24-16)21-18(33)17(32)15(10-31)35-21/h4-7,9,11,15,17-18,21,31-33H,3,8,10H2,1-2H3,(H,23,25,26)/t15-,17-,18-,21-/m1/s1
InChiKey HVRTYIRVPBOIOV-QTQZEZTPSA-N
Formula C22H26N8O5 Molecular Weight 482.49
Cross Link CHEMBL218505
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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