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CHEBI:230517 - Bay 65-1942

Default Structure
ChEBI IDCHEBI:230517
ChEBI NameBay 65-1942
Stars
DefinitionBay 65-1942 hydrochloride is an ATP-competitive and selective IKKb inhibitor.
Submitterdelphine
DownloadsMolfile
FormulaC22H25N3O4.HCl
Net Charge0
Average Mass431.920
Monoisotopic Mass431.16118
SMILESCl.[H][C@@]1(c2cc(-c3c(O)cccc3OCC3CC3)nc3c2COC(O)=N3)CCCNC1
InChIInChI=1S/C22H25N3O4.ClH/c26-18-4-1-5-19(28-11-13-6-7-13)20(18)17-9-15(14-3-2-8-23-10-14)16-12-29-22(27)25-21(16)24-17;/h1,4-5,9,13-14,23,26H,2-3,6-8,10-12H2,(H,24,25,27);1H/t14-;/m1./s1
InChIKeyXZTOAEZYOFWVHB-PFEQFJNWSA-N
ChEBI Ontology
Outgoing Relation(s)
Bay 65-1942 (CHEBI:230517) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
7-[2-(Cyclopropylmethoxy)-6-hydroxyphenyl]-1,4-dihydro-5-[(3S)-3-piperidinyl]-2H-pyrido[2,3-d][1,3]oxazin-2-one hydrochlorideSUBMITTER
BAY65-1942SUBMITTER
Bay 65-1942 hydrochlorideSUBMITTER
KINK-1SUBMITTER
Registry NumbersSources
CAS:600734-06-3SUBMITTER