CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00214440" in compound.

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CFAM Mol ID CFAMM00214440
Family CFFID594 Equilibrative nucleoside/nucleobase transporter Inhibitor Nitrobenzylthioinosine Family
Superfamily CFSID487 Equilibrative nucleoside/nucleobase transporter Inhibitor Nitrobenzylthioinosine Superfamily
Class CFCAD652 Class 652
External ID ZINC00489119 External Source ZINC
PubChem CID 41790635 Functional Category Natural Product
Molecule Name
IUPAC Name (2S)-3-(6-amino-8-benzylsulfanyl-7H-purin-3-ium-3-yl)propane-1,2-diol
Synonyms
InChi InChI=1S/C15H17N5O2S/c16-13-12-14(20(9-17-13)6-11(22)7-21)19-15(18-12)23-8-10-4-2-1-3-5-10/h1-5,9,11,21-22H,6-8H2,(H2,16,18,19)/p+1/t11-/m0/s1
InChiKey CIXISYBHYIKVOP-NSHDSACASA-O
Formula C15H18N5O2S+ Molecular Weight 332.40
Cross Link
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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