Bioactive Compound Details

BioIDbio199892
NameNone
ChEMBL IDCHEMBL560032
Molecular FormulaC17H14K4O12P2
Molecular Weight628.63
Molecular Weight (Monoisotopic)476.0273
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsPotassium Stilstatin 1 2',3'-O-Diphosphate
SmilesCOc1cc(/C=C\c2ccc(OC)c(OP(=O)([O-])[O-])c2OP(=O)([O-])[O-])cc2c1OCO2.[K+].[K+].[K+].[K+]
InchiInChI=1S/C17H18O12P2.4K/c1-24-12-6-5-11(15(28-30(18,19)20)17(12)29-31(21,22)23)4-3-10-7-13(25-2)16-14(8-10)26-9-27-16;;;;/h3-8H,9H2,1-2H3,(H2,18,19,20)(H2,21,22,23);;;;/q;4*+1/p-4/b4-3-;;;;
Inchi KeyBPGIJCNJNYQZML-PHSMJEINSA-J
Molecular SpeciesACID
Targets9.0
Bioactivities9.0
Np Likeness Score0.88
Records Key['18']
Records Name[Potassium Stilstatin 1 2',3'-O-Diphosphate"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure