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958002-33-0

958002-33-0 structural image
Product Name: Beclabuvir
Formula: C36H45N5O5S
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COMPUTED DESCRIPTORS

Molecular Weight 659.8 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 6
Exact Mass 659.31414073 g/mol
Monoisotopic Mass 659.31414073 g/mol
Topological Polar Surface Area 113 Ų
Heavy Atom Count 47
Formal Charge 0
Complexity 1320
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Beclabuvir is a non-nucleoside, polymerase inhibitor of the hepatitis C virus (HCV) nonstructural protein 5B (NS5B), a RNA-dependent RNA polymerase, with potential activity against HCV. Upon administration and after intracellular uptake, beclabuvir allosterically binds to the non-catalytic Thumb 1 site of viral HCV NS5B polymerase and causes a decrease in viral RNA synthesis and replication. The HCV NS5B protein is essential for the replication of the viral HCV RNA genome. HCV is a small, enveloped, single-stranded RNA virus belonging to the Flaviviridae family.