Bioactive Compound Details

BioIDbio792
NameXESTOSAPROL C METHYLACETAL
ChEMBL IDCHEMBL1214424
Molecular FormulaC21H18O10S
Molecular Weight462.43
Molecular Weight (Monoisotopic)462.0621
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsXestosaprol C Methylacetal
SmilesCO[C@]12OC(O)C3=C1[C@@](C)(CCC3=O)c1cc3c(OS(=O)(=O)O)ccc(O)c3cc1C2=O
InchiInChI=1S/C21H18O10S/c1-20-6-5-14(23)16-17(20)21(29-2,30-19(16)25)18(24)11-7-9-10(8-12(11)20)15(4-3-13(9)22)31-32(26,27)28/h3-4,7-8,19,22,25H,5-6H2,1-2H3,(H,26,27,28)/t19?,20-,21-/m0/s1
Inchi KeyVEGXLIPPUQZJQC-AKQSQHNNSA-N
Molecular SpeciesACID
Targets5.0
Bioactivities6.0
Np Likeness Score1.86
Records Key['7']
Records Name['Xestosaprol C methylacetal']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure