VOXILAPREVIR

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Synonyms
Status
Molecule Category Free-form
UNII 0570F37359

Structure

InChI Key MKDALIOACIEUJM-XCFCBFDASA-N
Smiles CC[C@@H]1[C@@H]2CN(C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]3C[C@H]3CCCCC(F)(F)c3nc4ccc(OC)cc4nc3O2)[C@@H]1C(=O)N[C@]1(C(=O)NS(=O)(=O)C2(C)CC2)C[C@H]1C(C)C
InChI
InChI=1S/C42H58F2N6O9S/c1-9-25-30-21-50(31(25)34(51)48-41(20-26(41)22(2)3)37(53)49-60(55,56)40(7)16-17-40)36(52)33(39(4,5)6)47-38(54)59-29-18-23(29)12-10-11-15-42(43,44)32-35(58-30)46-28-19-24(57-8)13-14-27(28)45-32/h13-14,19,22-23,25-26,29-31,33H,9-12,15-18,20-21H2,1-8H3,(H,47,54)(H,48,51)(H,49,53)/t23-,25-,26+,29-,30+,31+,33-,41-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C42H58F2N6O9S
Molecular Weight 861.02
AlogP 5.35
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 195.22
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 60.0

Pharmacology

Mechanism of Action Action Reference
Hepatitis C virus serine protease, NS3/NS4A inhibitor INHIBITOR FDA

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL3707372
FDA SRS 0570F37359
PubChem 89921642
ZINC ZINC000473235125
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