EPZ031686

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 118946372
Molecular Formula

C26H34ClF3N4O4S

SMILES

C1C[C@H]2CC(C[C@@H]1N2S(=O)(=O)CC3CCN(CC3)CCCC(F)(F)F)NC(=O)C4=C(C=C5C(=C4)CC(=O)N5)Cl

InChI

InChI=1S/C26H34ClF3N4O4S/c27-22-14-23-17(11-24(35)32-23)10-21(22)25(36)31-18-12-19-2-3-20(13-18)34(19)39(37,38)15-16-4-8-33(9-5-16)7-1-6-26(28,29)30/h10,14,16,18-20H,1-9,11-13,15H2,(H,31,36)(H,32,35)/t18?,19-,20+

synonyms
  • EPZ031686
  • 1808011-22-4
  • 2095161-11-6
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Properties
Property Value
MW 591.1 g/mol
HBD 2
HBA 9
Rotatable Bond Count 8
Exact Mass 590.1941389 g/mol
Monoisotopic Mass 590.1941389 g/mol
Heavy Atom Count 39
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 1000
xlogp 3.7
Topological Polar Surface Area 107