CFam Chemical Families Database
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You are searching for "CFAMM00214504" in compound.

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CFAM Mol ID CFAMM00214504
Family CFFID594 Equilibrative nucleoside/nucleobase transporter Inhibitor Nitrobenzylthioinosine Family
Superfamily CFSID487 Equilibrative nucleoside/nucleobase transporter Inhibitor Nitrobenzylthioinosine Superfamily
Class CFCAD652 Class 652
External ID CHEMBL58072 External Source CHEMBL
PubChem CID 3009580 Functional Category Bioactive
Molecule Name (2R,3R,4S,5R)-2-[6-[(3,4-dichlorophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
IUPAC Name (2R,3R,4S,5R)-2-[6-[(3,4-dichlorophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Synonyms AC1MHQGT;9H-Purine, 6-[[(3,4-dichlorophenyl)methyl]thio]-9-beta-D-ribofuranosyl-;(2R,3R,4S,5R)-2-[6-[(3,4-dichlorophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
InChi InChI=1S/C17H16Cl2N4O4S/c18-9-2-1-8(3-10(9)19)5-28-16-12-15(20-6-21-16)23(7-22-12)17-14(26)13(25)11(4-24)27-17/h1-3,6-7,11,13-14,17,24-26H,4-5H2/t11-,13-,14-,17-/m1/s1
InChiKey KHXFQZSRCZLJQI-LSCFUAHRSA-N
Formula C17H16Cl2N4O4S Molecular Weight 443.30
Cross Link CHEMBL58072
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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