Bioactive Compound Details

BioIDbio200
NameBOTRYLLAMIDE C
ChEMBL IDCHEMBL458921
Molecular FormulaC19H18BrNO4
Molecular Weight404.26
Molecular Weight (Monoisotopic)403.0419
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBotryllamide C
SmilesCO/C(=C\c1ccc(O)cc1)C(=O)N/C=C/c1ccc(OC)c(Br)c1
InchiInChI=1S/C19H18BrNO4/c1-24-17-8-5-14(11-16(17)20)9-10-21-19(23)18(25-2)12-13-3-6-15(22)7-4-13/h3-12,22H,1-2H3,(H,21,23)/b10-9+,18-12-
Inchi KeyUCXFHNQSLPZQNU-IGZKKZBOSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score0.76
Records Key['BDBM32620', '7']
Records Name['Botryllamide C, 3::US8470888, Botryllamide D', 'Botryllamide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure