dolutegravir

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 103
Total Number of Articles : 128
PubChem 54726191
Molecular Formula

C20H19F2N3O5

SMILES

C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O

InChI

InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1

synonyms
  • Dolutegravir
  • 1051375-16-6
  • GSK1349572
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Properties
Property Value
MW 419.4 g/mol
HBD 2
HBA 8
Rotatable Bond Count 3
Exact Mass 419.12927704 g/mol
Monoisotopic Mass 419.12927704 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 829
xlogp 2.4
Topological Polar Surface Area 99.2