Bioactive Compound Details

BioIDbio199364
NameNone
ChEMBL IDCHEMBL553852
Molecular FormulaC17H15Li6O15P3
Molecular Weight593.86
Molecular Weight (Monoisotopic)558.0093
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsLithium Stilstatin 2 2',3,3'-O-Triphosphate
SmilesCOc1cc(/C=C\c2ccc(OC)c(OP(=O)([O-])[O-])c2OP(=O)([O-])[O-])cc(OP(=O)([O-])[O-])c1OC.[Li+].[Li+].[Li+].[Li+].[Li+].[Li+]
InchiInChI=1S/C17H21O15P3.6Li/c1-27-12-7-6-11(15(31-34(21,22)23)17(12)32-35(24,25)26)5-4-10-8-13(28-2)16(29-3)14(9-10)30-33(18,19)20;;;;;;/h4-9H,1-3H3,(H2,18,19,20)(H2,21,22,23)(H2,24,25,26);;;;;;/q;6*+1/p-6/b5-4-;;;;;;
Inchi KeyBPNXLTXSOGJHOC-NFJBZXNCSA-H
Molecular SpeciesACID
Targets7.0
Bioactivities7.0
Np Likeness Score0.73
Records Key['31']
Records Name[Lithium Stilstatin 2 2',3,3'-O-Triphosphate"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure