Bioactive Compound Details

BioIDbio1171
NameTALAPEROXIDE C
ChEMBL IDCHEMBL1784535
Molecular FormulaC14H20O4
Molecular Weight252.31
Molecular Weight (Monoisotopic)252.1362
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymstalaperoxide C
SmilesCC1(C)CCC(=O)[C@@]2(C)OO[C@H]3C[C@]12CCC3=O
InchiInChI=1S/C14H20O4/c1-12(2)6-5-11(16)13(3)14(12)7-4-9(15)10(8-14)17-18-13/h10H,4-8H2,1-3H3/t10-,13+,14+/m0/s1
Inchi KeyJENHNTUYAQEPPI-ZLKJLUDKSA-N
Molecular SpeciesNEUTRAL
Targets12.0
Bioactivities12.0
Np Likeness Score3.2
Records Key['3']
Records Name['talaperoxide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure