Bioactive Compound Details

BioIDbio1021
NameAURANTIOMIDE C
ChEMBL IDCHEMBL227844
Molecular FormulaC18H20N4O3
Molecular Weight340.38
Molecular Weight (Monoisotopic)340.1535
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAurantiomide C
SmilesCC(C)/C=C1\NC(=O)[C@H](CCC(N)=O)n2c1nc1ccccc1c2=O
InchiInChI=1S/C18H20N4O3/c1-10(2)9-13-16-20-12-6-4-3-5-11(12)18(25)22(16)14(17(24)21-13)7-8-15(19)23/h3-6,9-10,14H,7-8H2,1-2H3,(H2,19,23)(H,21,24)/b13-9-/t14-/m0/s1
Inchi KeyUKYRPVOCKVERNT-XXYUJHKVSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities5.0
Np Likeness Score0.38
Records Key['3', '35', '128']
Records Name['aurantiomide C', 'Aurantiomide C', 'Aurantiomide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure