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300832-84-2

300832-84-2 structural image
Product Name: BILN-2061
Formula: C40H50N6O8S
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 774.9 g/mol
XLogP3 6.4
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 10
Exact Mass 774.34108375 g/mol
Monoisotopic Mass 774.34108375 g/mol
Topological Polar Surface Area 210 Ų
Heavy Atom Count 55
Formal Charge 0
Complexity 1420
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

The compound, named BILN 2061, is an orally active inhibitor of the HCV NS3 protease and the first member of this new drug class to be tested in humans.

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