Bioactive Compound Details

BioIDbio1653
NameNONOXYNOL 9
ChEMBL IDCHEMBL1410
Molecular FormulaC33H60O10
Molecular Weight616.83
Molecular Weight (Monoisotopic)616.4186
TypeSmall molecule
Max PhasePhase 4
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsC-FILM|DELFEN|DOUBLE CHECK|DURAGEL|EMKO|GYGEL|GYNOL 11|IGEPAL CO-630|NONOXINOL 9|NONOXINOLUM 9|NONOXYNOL 9|NONOXYNOL-9|NONOXYNOL-9.5|NONYLPHENOXYPOLYETHOXYETHANOL|NORFOX NP-9|NSC-758941|ORTHO-CREME|ORTHO-FORMS|PEG-9 NONYL PHENYL ETHER|PRELUDE|TERGITOL NP-9|TODAY
SmilesCCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1
InchiInChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3
Inchi KeyFBWNMEQMRUMQSO-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets33.0
Bioactivities114.0
Np Likeness Score-0.07
Records Key['N-9', 'N-9', 'N-9', 'Nonoxynol-9', 'Nonoxynol-9', 'NONOXYNOL-9', 'N-9', 'Nonoxynol-9', '92308132', 'Nonoxynol-9', 'nonoxynol-9', 'N-9', 'SID26749924', 'NONOXYNOL 9', 'N-9', 'Nonoxynol-9', 'NONOXYNOL 9', 'N-9', 'NONOXYNOL 9', 'NONOXYNOL 9']
Records Name['Nonoxynol-9', 'nonoxynol-9', 'Nonoxynol-9', 'Nonoxynol-9', 'Nonoxynol-9', 'NONOXYNOL-9', 'Nonoxynol-9', 'Nonoxynol-9', 'Nonoxynol-9', '2-(2-(2-(2-(2-(2-(2-(2-(2-(4-nonylphenoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethanol', 'nonoxynol-9', 'Nonoxynol-9', 'SID26749924', 'NONOXYNOL 9', 'Nonoxynol-9', 'Nonoxynol-9', 'NONOXYNOL 9', 'Nonoxynol-9', 'NONOXYNOL 9', 'NONOXYNOL 9']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure