Bioactive Compound Details

BioIDbio200499
NameOCAROCOXIB TROMETHAMINE
ChEMBL IDCHEMBL4650219
Molecular FormulaC16H17F6NO7
Molecular Weight449.3
Molecular Weight (Monoisotopic)328.017
TypeSmall molecule
Max PhasePhase 1
Target IDTar81
Target NameNone
SynonymsOCAROCOXIB TROMETHAMINE
SmilesNC(CO)(CO)CO.O=C(O)C1=Cc2cc(OC(F)(F)F)ccc2OC1C(F)(F)F
InchiInChI=1S/C12H6F6O4.C4H11NO3/c13-11(14,15)9-7(10(19)20)4-5-3-6(22-12(16,17)18)1-2-8(5)21-9;5-4(1-6,2-7)3-8/h1-4,9H,(H,19,20);6-8H,1-3,5H2
Inchi KeyMWZUJRVBVVSULF-UHFFFAOYSA-N
Molecular SpeciesACID
TargetsNone
BioactivitiesNone
Np Likeness Score0.19
Records Key['OCAROCOXIB TROMETHAMINE']
Records Name['OCAROCOXIB TROMETHAMINE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure