CFam Chemical Families Database
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You are searching for "CFAMM00125394" in compound.

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CFAM Mol ID CFAMM00125394
Family CFFAD1087 Adenosine receptor A2a Ligand Regadenoson Family
Superfamily CFSAD912 Adenosine receptor A2a Ligand Regadenoson Superfamily
Class CFCAD793 Class 793
External ID CHEMBL393916 External Source CHEMBL
PubChem CID 11978309 Functional Category Bioactive
Molecule Name 1-[6-(cyclohexylamino)-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide
IUPAC Name 1-[6-(cyclohexylamino)-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide
Synonyms CTK3G4416;CHEBI:493748;Adenosine, N-cyclohexyl-2-[4-[(methylamino)carbonyl]-1H-pyrazol-1-yl]-;915097-60-8
InChi InChI=1S/C21H28N8O5/c1-22-19(33)11-7-24-29(8-11)21-26-17(25-12-5-3-2-4-6-12)14-18(27-21)28(10-23-14)20-16(32)15(31)13(9-30)34-20/h7-8,10,12-13,15-16,20,30-32H,2-6,9H2,1H3,(H,22,33)(H,25,26,27)/t13-,15-,16-,20-/m1/s1
InChiKey PCYVLFCVZVITGZ-KHTYJDQRSA-N
Formula C21H28N8O5 Molecular Weight 472.50
Cross Link CHEMBL393916
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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