Bioactive Compound Details

BioIDbio44
NameDES-N-METHYLTHAXTOMIN C
ChEMBL IDCHEMBL2270635
Molecular FormulaC20H18N4O4
Molecular Weight378.39
Molecular Weight (Monoisotopic)378.1328
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNone
SmilesO=C1N[C@@H](Cc2c[nH]c3cccc([N+](=O)[O-])c23)C(=O)N[C@H]1Cc1ccccc1
InchiInChI=1S/C20H18N4O4/c25-19-15(9-12-5-2-1-3-6-12)22-20(26)16(23-19)10-13-11-21-14-7-4-8-17(18(13)14)24(27)28/h1-8,11,15-16,21H,9-10H2,(H,22,26)(H,23,25)/t15-,16-/m0/s1
Inchi KeyNBRLIEDDTJSMAU-HOTGVXAUSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities24.0
Np Likeness Score0.12
Records Key['11']
Records Name['Des-N-methylthaxtomin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure