CFam Chemical Families Database
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You are searching for "CFAMM00261925" 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 CFAMM00261925
Family CFFID2187 Adenosine receptor A1 and Adenosine receptor A2a Ligand N6-methoxy-2-[(4-methoxyphenyl)ethynyl]adenosine Family
Superfamily CFSID1617 Adenosine receptor A1 and Adenosine receptor A2a Ligand N6-methoxy-2-[(4-methoxyphenyl)ethynyl]adenosine Superfamily
Class CFCCD476 Class 1289
External ID CHEMBL218378 External Source CHEMBL
PubChem CID 16094561 Functional Category Bioactive
Molecule Name (2R,3R,4S,5R)-2-[6-[(2-chloro-5-methoxyphenyl)methylamino]-2-[4-(cyclopentylmethyl)triazol-1-yl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
IUPAC Name (2R,3R,4S,5R)-2-[6-[(2-chloro-5-methoxyphenyl)methylamino]-2-[4-(cyclopentylmethyl)triazol-1-yl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Synonyms CHEBI:464489
InChi InChI=1S/C26H31ClN8O5/c1-39-17-6-7-18(27)15(9-17)10-28-23-20-24(34(13-29-20)25-22(38)21(37)19(12-36)40-25)31-26(30-23)35-11-16(32-33-35)8-14-4-2-3-5-14/h6-7,9,11,13-14,19,21-22,25,36-38H,2-5,8,10,12H2,1H3,(H,28,30,31)/t19-,21-,22-,25-/m1/s1
InChiKey FSJVLFODYBZABL-PTGPVQHPSA-N
Formula C26H31ClN8O5 Molecular Weight 571.03
Cross Link CHEMBL218378
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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