Bioactive Compound Details

BioIDbio885
NameAFLAQUINOLONE C
ChEMBL IDCHEMBL2024581
Molecular FormulaC26H29NO5
Molecular Weight435.52
Molecular Weight (Monoisotopic)435.2046
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAflaquinolone C
SmilesCO[C@@H]1C(=O)Nc2ccc(/C=C/[C@@]3(C)CCC(=O)[C@H](C)C3)c(O)c2[C@@]1(O)c1ccccc1
InchiInChI=1S/C26H29NO5/c1-16-15-25(2,14-12-20(16)28)13-11-17-9-10-19-21(22(17)29)26(31,18-7-5-4-6-8-18)23(32-3)24(30)27-19/h4-11,13,16,23,29,31H,12,14-15H2,1-3H3,(H,27,30)/b13-11+/t16-,23-,25+,26+/m1/s1
Inchi KeyQWVOGENNJWSIPL-JWMJNCAXSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities5.0
Np Likeness Score1.87
Records Key['3']
Records Name['Aflaquinolone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure