TAK-243

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 18
Total Number of Articles : 12
PubChem 71715374
Molecular Formula

C19H20F3N5O5S2

SMILES

C1[C@@H]([C@H]([C@H]([C@@H]1NC2=CC=NC3=CC(=NN23)C4=CC(=CC=C4)SC(F)(F)F)O)O)COS(=O)(=O)N

InChI

InChI=1S/C19H20F3N5O5S2/c20-19(21,22)33-12-3-1-2-10(6-12)13-8-16-24-5-4-15(27(16)26-13)25-14-7-11(17(28)18(14)29)9-32-34(23,30)31/h1-6,8,11,14,17-18,25,28-29H,7,9H2,(H2,23,30,31)/t11-,14-,17-,18+/m1/s1

synonyms
  • TAK-243
  • 1450833-55-2
  • MLN7243
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Properties
Property Value
MW 519.5 g/mol
HBD 4
HBA 13
Rotatable Bond Count 7
Exact Mass 519.08579559 g/mol
Monoisotopic Mass 519.08579559 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 804
xlogp 2
Topological Polar Surface Area 186