Bioactive Compound Details

BioIDbio839
NamePESTALACHLORIDE C
ChEMBL IDCHEMBL470095
Molecular FormulaC21H20Cl2O5
Molecular Weight423.29
Molecular Weight (Monoisotopic)422.0688
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPestalachloride C
SmilesCOc1c(Cl)c(C)c(Cl)c2c1[C@H]1c3c(C=O)c(O)cc(O)c3C[C@@H]1C(C)(C)O2
InchiInChI=1S/C21H20Cl2O5/c1-8-17(22)19(27-4)16-15-11(21(2,3)28-20(16)18(8)23)5-9-12(25)6-13(26)10(7-24)14(9)15/h6-7,11,15,25-26H,5H2,1-4H3/t11-,15+/m0/s1
Inchi KeyANCGXXHYXGKUAF-XHDPSFHLSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities6.0
Np Likeness Score1.47
Records Key['rac-3']
Records Name['Pestalachloride C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure