Bioactive Compound Details

BioIDbio674
NameCYSTODIONE C
ChEMBL IDCHEMBL2333077
Molecular FormulaC22H30O5
Molecular Weight374.48
Molecular Weight (Monoisotopic)374.2093
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCystodione C
SmilesCOc1c(C)cc(O)cc1/C=C/C(C)(O)CC(=O)/C=C(/C)CCCC(C)=O
InchiInChI=1S/C22H30O5/c1-15(7-6-8-17(3)23)11-20(25)14-22(4,26)10-9-18-13-19(24)12-16(2)21(18)27-5/h9-13,24,26H,6-8,14H2,1-5H3/b10-9+,15-11-
Inchi KeyDMSQHIJLAFYSCV-RKVFCIRRSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score1.73
Records Key['3']
Records Name['Cystodione C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure