Bioactive Compound Details

BioIDbio531
NameBIDEBILINE C
ChEMBL IDCHEMBL503550
Molecular FormulaC36H28N2O6
Molecular Weight584.63
Molecular Weight (Monoisotopic)584.1947
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBidebiline C
SmilesCOc1cccc2c1c(-c1c3c4c(cc5c(c4c4cccc(OC)c14)OCO5)CCN3)c1c3c(cc4c(c32)OCO4)CCN1
InchiInChI=1S/C36H28N2O6/c1-39-21-7-3-5-19-27(21)31(33-25-17(9-11-37-33)13-23-35(29(19)25)43-15-41-23)32-28-20(6-4-8-22(28)40-2)30-26-18(10-12-38-34(26)32)14-24-36(30)44-16-42-24/h3-8,13-14,37-38H,9-12,15-16H2,1-2H3
Inchi KeyOJNKDUUHVWZPHM-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score0.72
Records Key['3, Bidebiline C']
Records Name[bis-7,7'-dehydro-8,8'-dimethoxyanonaine"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure