CFam Chemical Families Database
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You are searching for "CFAMM00125372" in compound.

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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 CFAMM00125372
Family CFFAD1087 Adenosine receptor A2a Ligand Regadenoson Family
Superfamily CFSAD912 Adenosine receptor A2a Ligand Regadenoson Superfamily
Class CFCAD793 Class 793
External ID CHEMBL101218 External Source CHEMBL
PubChem CID 9865974 Functional Category Bioactive
Molecule Name SureCN271602
IUPAC Name ethyl 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxylate
Synonyms CHEBI:262476;CVT 3127;FT-0662055;1-(6-Amino-9-|A-D-ribofuranosyl-9H-purin-2-yl)-1H-pyrazole-4-carboxylic AcidEthyl Ester;313348-16-2
InChi InChI=1S/C16H19N7O6/c1-2-28-15(27)7-3-19-23(4-7)16-20-12(17)9-13(21-16)22(6-18-9)14-11(26)10(25)8(5-24)29-14/h3-4,6,8,10-11,14,24-26H,2,5H2,1H3,(H2,17,20,21)/t8-,10-,11-,14-/m1/s1
InChiKey ZPVLTIXYQGANFL-IDTAVKCVSA-N
Formula C16H19N7O6 Molecular Weight 405.37
Cross Link CHEMBL101218
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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