GCE

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 28
Total Number of Articles : 30
PubChem 139033892
Molecular Formula

C20H24F2N4O2S

SMILES

CN(C(=O)N1[C@](SC(N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H24F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13,18,24H,6,11-12,23H2,1-2H3/t18?,20-/m0/s1

synonyms
  • GCE
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Properties
Property Value
MW 422.5 g/mol
HBD 2
HBA 7
Rotatable Bond Count 6
Exact Mass 422.15880352 g/mol
Monoisotopic Mass 422.15880352 g/mol
Heavy Atom Count 29
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 555
xlogp 3
Topological Polar Surface Area 96.1