Bioactive Compound Details

BioIDbio1570
NameDIPLYNE C
ChEMBL IDCHEMBL499451
Molecular FormulaC16H23BrO2
Molecular Weight327.26
Molecular Weight (Monoisotopic)326.0881
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDiplyne C
SmilesOCC(O)C#CC#CCCCCCCCC/C=C/Br
InchiInChI=1S/C16H23BrO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)15-18/h12,14,16,18-19H,1-6,8,10,15H2/b14-12+
Inchi KeyWPDBFRMBTCLQRW-WYMLVPIESA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.63
Records Key['4, Diplyne C']
Records Name['(15E)-16-bromohexadeca-15-en-3,5-diyne-1,2-diol']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure