epacadostat

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 22
Total Number of Articles : 38
PubChem 135564890
Molecular Formula

C11H13BrFN7O4S

SMILES

C1=CC(=C(C=C1N=C(C2=NON=C2NCCNS(=O)(=O)N)NO)Br)F

InChI

InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)

synonyms
  • Epacadostat
  • 1204669-58-8
  • IDO inhibitor 1
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Properties
Property Value
MW 438.24 g/mol
HBD 5
HBA 11
Rotatable Bond Count 8
Exact Mass 436.99171 g/mol
Monoisotopic Mass 436.99171 g/mol
Heavy Atom Count 25
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 563
xlogp 0.8
Topological Polar Surface Area 176