vorapaxar

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 43
Total Number of Articles : 148
PubChem 10077130
Molecular Formula

C29H33FN2O4

SMILES

CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@H]([C@H]2/C=C/C4=NC=C(C=C4)C5=CC(=CC=C5)F)[C@H](OC3=O)C

InChI

InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/b12-9+/t17-,20+,23-,24-,25+,26-,27+/m1/s1

synonyms
  • Vorapaxar
  • 618385-01-6
  • SCH530348
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Properties
Property Value
MW 492.6 g/mol
HBD 1
HBA 6
Rotatable Bond Count 6
Exact Mass 492.24243570 g/mol
Monoisotopic Mass 492.24243570 g/mol
Heavy Atom Count 36
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 821
xlogp 5.3
Topological Polar Surface Area 77.5