CFam Chemical Families Database
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You are searching for "CFAMM00034896" in compound.

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CFAM Mol ID CFAMM00034896
Family CFFAD189 Adenosine receptor A3 ligand purine nucleoside Adenosine Family
Superfamily CFSAD177 Adenosine receptor, DNA binding purine nucleoside Adenosine analog Superfamily
Class CFCAD172 Class 172
External ID CHEMBL2309024 External Source CHEMBL
PubChem CID 71719720 Functional Category Bioactive
Molecule Name tetrasodium;[[(2R,3R,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]boron(1-)
IUPAC Name tetrasodium;[[(2R,3R,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]boron(1-)
Synonyms
InChi InChI=1S/C11H20BN5O12P3S.4Na/c1-33-11-15-8(13)5-9(16-11)17(3-14-5)10-7(19)6(18)4(27-10)2-26-30(12,20)28-32(24,25)29-31(21,22)23;;;;/h3-4,6-7,10,18-19H,2H2,1,12H3,(H,24,25)(H2,13,15,16)(H2,21,22,23);;;;/q-1;4*+1/p-3/t4-,6+,7-,10-,30?;;;;/m1..../s1
InChiKey WBNGHUVHRVWRPJ-OZYHUUIHSA-K
Formula C11H17BN5Na4O12P3S Molecular Weight 639.04
Cross Link CHEMBL2309024
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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