Bioactive Compound Details

BioIDbio203
NameHIPPOSULFATE C
ChEMBL IDCHEMBL400961
Molecular FormulaC25H40O5S
Molecular Weight452.66
Molecular Weight (Monoisotopic)452.2596
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsHipposulfate C
SmilesCC1=CCCC(C)(C)C1CC/C(C)=C/CCC(CCCc1ccoc1)COS(=O)(=O)O
InchiInChI=1S/C25H40O5S/c1-20(13-14-24-21(2)9-7-16-25(24,3)4)8-5-10-22(19-30-31(26,27)28)11-6-12-23-15-17-29-18-23/h8-9,15,17-18,22,24H,5-7,10-14,16,19H2,1-4H3,(H,26,27,28)/b20-8+
Inchi KeyMSQUWENCRGKHFA-DNTJNYDQSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities3.0
Np Likeness Score2.66
Records Key['2']
Records Name['hipposulfate C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure