CFam Chemical Families Database
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You are searching for "CFAMM00530221" in compound.

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CFAM Mol ID CFAMM00530221
Family CFFBM47574 Thymidine phosphorylase inhibitor 8-[5-bromo-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]octylphosphonic acid family
Superfamily CFSCD369 P2Y purinoceptor 2 Inhibitor Diquafosol Superfamily
Class CFCCD269 Class 1082
External ID CHEMBL597717 External Source CHEMBL
PubChem CID 46232010 Functional Category Bioactive
Molecule Name 8-[5-bromo-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]octylphosphonic acid
IUPAC Name 8-[5-bromo-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]octylphosphonic acid
Synonyms CHEBI:701716
InChi InChI=1S/C17H28BrN2O9P/c18-11-9-20(16-14(23)13(22)12(10-21)29-16)17(25)19(15(11)24)7-5-3-1-2-4-6-8-30(26,27)28/h9,12-14,16,21-23H,1-8,10H2,(H2,26,27,28)/t12-,13-,14-,16-/m1/s1
InChiKey PRAAYWBIBCEBSK-IXYNUQLISA-N
Formula C17H28BrN2O9P Molecular Weight 515.29
Cross Link CHEMBL597717
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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Deputy Director of Center for Computational Science and Engineering
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National University of Singapore, Singapore


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