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Chemistry

Mol. Mass

492.59

ALogP

5.63

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c4ccc(cn4)c5cccc(F)c5
  • InChIKey: ZBGXUVOIWDMMJE-QHNZEKIYSA-N
    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
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL493982   ChEMBL
vorapaxar *

CHEMBL2107386   ChEMBL
vorapaxar sulfate

ZCE93644N2   NCATS
vorapaxar *

Vorapaxar   Wikipedia

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