Bioactive Compound Details

BioIDbio588
NamePOCHOXIME C
ChEMBL IDCHEMBL556911
Molecular FormulaC25H32N2O6
Molecular Weight456.54
Molecular Weight (Monoisotopic)456.226
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPochoxime C
SmilesC[C@@H]1C/C=C/CC/C=C/C(=N/OCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c2C(=O)O1
InchiInChI=1S/C25H32N2O6/c1-18-10-6-3-2-4-7-11-20(26-32-17-23(30)27-12-8-5-9-13-27)14-19-15-21(28)16-22(29)24(19)25(31)33-18/h3,6-7,11,15-16,18,28-29H,2,4-5,8-10,12-14,17H2,1H3/b6-3+,11-7+,26-20-/t18-/m1/s1
Inchi KeyVZVRACFMIZZMJB-SHWGKNIPSA-N
Molecular SpeciesNEUTRAL
Targets9.0
Bioactivities10.0
Np Likeness Score0.78
Records Key['10']
Records Name['Pochoxime C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure