CFam Chemical Families Database
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You are searching for "CFAMM00404014" in compound.

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CFAM Mol ID CFAMM00404014
Family CFFBM10732 Adenosine receptor A3 and Adenosine receptor A1 ligand (2S,3S,4R,5R)-N-ethyl-5-[6-(ethylamino)-2-[3-hydroxy-3-(3-methoxyphenyl)prop-1-ynyl]purin-9-yl]-3,4-dihydroxyoxolane-2-carboxamide family
Superfamily CFSBM549 Adenosine receptor A1 and Adenosine receptor A3 Binder Superfamily
Class CFCCD476 Class 1289
External ID CHEMBL301116 External Source CHEMBL
PubChem CID 11070867 Functional Category Bioactive
Molecule Name N-[(2R,3R,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-4-hydroxy-2-methyloxolan-3-yl]-4-phenoxybutanamide
IUPAC Name N-[(2R,3R,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-4-hydroxy-2-methyloxolan-3-yl]-4-phenoxybutanamide
Synonyms CHEBI:181659
InChi InChI=1S/C25H32N6O4/c1-16-20(30-19(32)12-7-13-34-18-10-3-2-4-11-18)22(33)25(35-16)31-15-28-21-23(26-14-27-24(21)31)29-17-8-5-6-9-17/h2-4,10-11,14-17,20,22,25,33H,5-9,12-13H2,1H3,(H,30,32)(H,26,27,29)/t16-,20+,22-,25-/m1/s1
InChiKey KYYHDUJAMGVCKM-YBVULOPDSA-N
Formula C25H32N6O4 Molecular Weight 480.56
Cross Link CHEMBL301116
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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