Bioactive Compound Details

BioIDbio1267
NameNone
ChEMBL IDCHEMBL564377
Molecular FormulaC21H28N2O
Molecular Weight324.47
Molecular Weight (Monoisotopic)324.2202
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms9-Deacetylfumigaclavine C
SmilesC=CC(C)(C)c1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3[C@@H](O)[C@@H](C)CN1C
InchiInChI=1S/C21H28N2O/c1-6-21(3,4)20-14-10-16-18(19(24)12(2)11-23(16)5)13-8-7-9-15(22-20)17(13)14/h6-9,12,16,18-19,22,24H,1,10-11H2,2-5H3/t12-,16+,18+,19-/m0/s1
Inchi KeyVCXCXXJJHZVDSD-GJGHSUIPSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score2.11
Records Key['1']
Records Name['9-deacetylfumigaclavine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure