MRS2698

Ligand id: 1733

Name: MRS2698

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 7
Rotatable bonds 8
Topological polar surface area 309.16
Molecular weight 498.96
XLogP -5.25
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(2R,3S,4R,5R)-4-amino-3-hydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
Synonyms
2'-amino-2-thio-UTP | MRS-2698
Database Links
BindingDB Ligand 50205406
ChEBI CHEBI:470189
ChEMBL Ligand CHEMBL373780
PubChem CID 16116566
Search Google for chemical match using the InChIKey UWTUUIWWVPWHAA-XVFCMESISA-N
Search Google for chemicals with the same backbone UWTUUIWWVPWHAA
Search UniChem for chemical match using the InChIKey UWTUUIWWVPWHAA-XVFCMESISA-N
Search UniChem for chemicals with the same backbone UWTUUIWWVPWHAA