Bioactive Compound Details

BioIDbio890
NameCAPOBENATE SODIUM
ChEMBL IDCHEMBL2106145
Molecular FormulaC16H22NNaO6
Molecular Weight347.34
Molecular Weight (Monoisotopic)325.1525
TypeSmall molecule
Max PhaseUnknown
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsC-3|CAPOBENATE SODIUM|CAPOBENIC ACID SODIUM SALT
SmilesCOc1cc(C(=O)NCCCCCC(=O)[O-])cc(OC)c1OC.[Na+]
InchiInChI=1S/C16H23NO6.Na/c1-21-12-9-11(10-13(22-2)15(12)23-3)16(20)17-8-6-4-5-7-14(18)19;/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19);/q;+1/p-1
Inchi KeySNOOUWRIMMFWNE-UHFFFAOYSA-M
Molecular SpeciesACID
TargetsNone
BioactivitiesNone
Np Likeness Score-0.12
Records Key['CAPOBENATE SODIUM']
Records Name['CAPOBENATE SODIUM']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure