EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:70726 - hesperadin

ChEBI IDCHEBI:70726
ChEBI Namehesperadin
Stars
DefinitionAn 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.
Last Modified26 October 2012
SubmitterGareth Owen
DownloadsMolfile

FormulaC29H32N4O3S
Net Charge0
Average Mass516.667
Monoisotopic Mass516.21951
SMILESCCS(=O)(=O)Nc1ccc2c(c1)/C(=C(/Nc1ccc(CN3CCCCC3)cc1)c1ccccc1)C(=O)N2
InChIInChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,30,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b28-27-
InChIKeyGLDSKRNGVVYJAB-DQSJHHFOSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
N-[(3Z)-2-oxo-3-(phenyl{[4-(piperidin-1-ylmethyl)phenyl]amino}methylidene)-2,3-dihydro-1H-indol-5-yl]ethanesulfonamide
Synonym  Source
hesperadineChEBI
Manual XrefsDatabases
HesperadinWikipedia
Registry NumbersSources
Reaxys:14118003Reaxys
CAS:422513-13-1Wikipedia
Citations