Bioactive Compound Details

BioIDbio13441
NameENFLICOXIB
ChEMBL IDCHEMBL5315060
Molecular FormulaC16H12F5N3O2S
Molecular Weight405.35
Molecular Weight (Monoisotopic)405.057
TypeSmall molecule
Max PhaseUnknown
Target IDTar6
Target NameE-selectin (SELE)
SynonymsDaxocox|E-6087|ENFLICOXIB
SmilesNS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)CC2c2ccc(F)cc2F)cc1
InchiInChI=1S/C16H12F5N3O2S/c17-9-1-6-12(13(18)7-9)14-8-15(16(19,20)21)23-24(14)10-2-4-11(5-3-10)27(22,25)26/h1-7,14H,8H2,(H2,22,25,26)
Inchi KeyZZMJXWXXMAAPLI-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-1.59
Records Key['ENFLICOXIB']
Records Name['ENFLICOXIB']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure