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CHEBI:228210 - KU-58050

ChEBI IDCHEBI:228210
ChEBI NameKU-58050
Stars
DefinitionA member of the class of thianthrenes that is thianthrene substituted by a 4-oxo-6-(piperidin-1-yl)-4H-pyran-2-yl group at position 1. It is a weakly active inhibitor of ATM kinase.
Last Modified13 November 2023
SubmitterAdnan
DownloadsMolfile
FormulaC22H19NO2S2
Net Charge0
Average Mass393.533
Monoisotopic Mass393.08572
SMILESO=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCCCC2)c1
InChIInChI=1S/C22H19NO2S2/c24-15-13-17(25-21(14-15)23-11-4-1-5-12-23)16-7-6-10-20-22(16)27-19-9-3-2-8-18(19)26-20/h2-3,6-10,13-14H,1,4-5,11-12H2
InChIKeyBTWCDURTLMJVNW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
KU-58050 (CHEBI:228210) is a 4-pyranones (CHEBI:131906)
KU-58050 (CHEBI:228210) is a piperidines (CHEBI:26151)
KU-58050 (CHEBI:228210) is a thianthrenes (CHEBI:64513)
IUPAC Name 
2-(piperidin-1-yl)-6-(thianthren-1-yl)-4H-pyran-4-one
Synonyms  Source
KU58050ChEBI
KU 58050ChEBI
Citations