422513-13-1
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
Inquiry
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.