Bioactive Compound Details

BioIDbio1373
NameNone
ChEMBL IDCHEMBL561363
Molecular FormulaC21H28N2
Molecular Weight308.47
Molecular Weight (Monoisotopic)308.2252
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms9-Deacetoxyfumigaclavine C
SmilesC=CC(C)(C)c1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3C[C@@H](C)CN1C
InchiInChI=1S/C21H28N2/c1-6-21(3,4)20-16-11-18-15(10-13(2)12-23(18)5)14-8-7-9-17(22-20)19(14)16/h6-9,13,15,18,22H,1,10-12H2,2-5H3/t13-,15-,18-/m1/s1
Inchi KeyGXEMWNLJOIOIIM-DDUZABMNSA-N
Molecular SpeciesBASE
Targets4.0
Bioactivities4.0
Np Likeness Score1.92
Records Key['2']
Records Name['9-deacetoxyfumigaclavine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure