Bioactive Compound Details

BioIDbio1383
NameDIPLYNE C SULFATE
ChEMBL IDCHEMBL512823
Molecular FormulaC16H23BrO5S
Molecular Weight407.33
Molecular Weight (Monoisotopic)406.045
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDiplyne C sulfate
SmilesO=S(=O)(O)OCC(O)C#CC#CCCCCCCCC/C=C/Br
InchiInChI=1S/C16H23BrO5S/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(18)15-22-23(19,20)21/h12,14,16,18H,1-6,8,10,15H2,(H,19,20,21)/b14-12+
Inchi KeyHZARHHWAEHHVPW-WYMLVPIESA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score2.41
Records Key['8, Diplyne C sulfate']
Records Name['(15E)-16-bromohexadeca-15-en-3,5-diyne-1,2-diol 1-sulfate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure