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1350514-68-9

1350514-68-9 structural image
Product Name: MK5172
Formula: C38H50N6O9S
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COMPUTED DESCRIPTORS

Molecular Weight 766.9 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 8
Exact Mass 766.33599837 g/mol
Monoisotopic Mass 766.33599837 g/mol
Topological Polar Surface Area 204 Ų
Heavy Atom Count 54
Formal Charge 0
Complexity 1580
Isotope Atom Count 0
Defined Atom Stereocenter Count 7
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Grazoprevir is an azamacrocyclic compound that is a hepatitis C protease inhibitor used in combination with elbasvir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults. It has a role as an antiviral drug, a hepatoprotective agent and a hepatitis C protease inhibitor. It is an azamacrocycle, a carbamate ester, a lactam, an aromatic ether, a member of cyclopropanes, a N-sulfonylcarboxamide and a quinoxaline derivative.