Bioactive Compound Details

BioIDbio1833
NameOXYPHENONIUM BROMIDE
ChEMBL IDCHEMBL1200906
Molecular FormulaC21H34BrNO3
Molecular Weight428.41
Molecular Weight (Monoisotopic)348.2533
TypeSmall molecule
Max PhasePhase 4
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsANTRENIL|ANTRENYL|BA-5473|BROMURE D'OXYPHENONIUM|BROMURO DE OXIFENONIO|C-5473|NSC-759248|OXIFENON|OXYFENON|OXYPHENON|OXYPHENONIUM BROMIDE|SPASMODIN|SPASMOPHEN
SmilesCC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.[Br-]
InchiInChI=1S/C21H34NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3;1H/q+1;/p-1
Inchi KeyUKLQXHUGTKWPSR-UHFFFAOYSA-M
Molecular SpeciesNEUTRAL
Targets18.0
Bioactivities27.0
Np Likeness Score0.09
Records Key['SID144204402', 'SID855750', 'OXYPHENONIUM BROMIDE', 'SID170465282', 'OXYPHENONIUM BROMIDE', 'OXYPHENONIUM BROMIDE', 'OXYPHENONIUM BROMIDE', 'SID56422900', 'SAM001246887', 'OXYPHENONIUM BROMIDE', 'OXYPHENONIUM BROMIDE']
Records Name['SID144204402', 'SID855750', 'OXYPHENONIUM BROMIDE', 'SID170465282', 'OXYPHENONIUM BROMIDE', 'OXYPHENONIUM BROMIDE', 'OXYPHENONIUM BROMIDE', 'SID56422900', 'C0164666', 'OXYPHENONIUM BROMIDE', 'OXYPHENONIUM BROMIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure