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Chemistry

Mol. Mass

766.92

ALogP

3.3

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N5C[C@@H](C[C@H]5C(=O)N[C@@]6(C[C@H]6C=C)C(=O)NS(=O)(=O)C7CC7)Oc3nc2c1)C(C)(C)C
  • InChIKey: OBMNJSNZOWALQB-NCQNOWPTSA-N
    InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2063090   ChEMBL
grazoprevir *

CHEMBL3039533   ChEMBL

8YE81R1X1J   NCATS
grazoprevir anhydrous *

Grazoprevir   Wikipedia

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