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422513-13-1

422513-13-1 structural image
Product Name: Hesperadin
Formula: C29H32N4O3S
Synonyms: Hesperadin - CAS 422513-13-1 - Calbiochem;Mammalian Ste20-like Kinase 4 Inhibitor, MST4 Inhibitor, Aurora Kinase Inhibitor X, AMPK Inhibitor II
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COMPUTED DESCRIPTORS

Molecular Weight 516.7 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 8
Exact Mass 516.21951207 g/mol
Monoisotopic Mass 516.21951207 g/mol
Topological Polar Surface Area 106 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 855
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

Hesperadin is an oxindole that is indolin-2-one which is substituted at position 5 by an (ethylsulfonyl)nitrilo group and at position 2 by a methylidene group, which is itself substituted by a phenyl group and a [4-(piperidin-1-ylmethyl)phenyl]amino group. An Aurora B kinase inhibitor, it is used to inhibit chromosome alignment and segregation. It has a role as an Aurora kinase inhibitor. It is a member of oxindoles, a member of piperidines, a sulfonamide, an enamine and a tertiary amino compound.