CHEBI:230517 - Bay 65-1942

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ChEBI Name Bay 65-1942
ChEBI ID CHEBI:230517
Definition Bay 65-1942 hydrochloride is an ATP-competitive and selective IKKb inhibitor.
Stars This entity has been manually annotated by a third party.
Submitter Delphine Zhou
Supplier Information
Download Molfile XML SDF
Formula C22H25N3O4.ClH
Net Charge 0
Average Mass 431.920
Monoisotopic Mass 431.16118
InChI InChI=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
InChIKey XZTOAEZYOFWVHB-PFEQFJNWSA-N
SMILES C1=CC(=C(C=2C=C([C@@]3(CCCNC3)[H])C=4COC(=NC4N2)O)C(=C1)OCC5CC5)O.Cl
ChEBI Ontology
Outgoing Bay 65-1942 (CHEBI:230517) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
7-[2-(Cyclopropylmethoxy)-6-hydroxyphenyl]-1,4-dihydro-5-[(3S)-3-piperidinyl]-2H-pyrido[2,3-d][1,3]oxazin-2-one hydrochloride SUBMITTER
Bay 65-1942 hydrochloride SUBMITTER
BAY65-1942 SUBMITTER
KINK-1 SUBMITTER
Registry Number Type Source
600734-06-3 CAS Registry Number SUBMITTER