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CHEBI:125967 - 1-[(8R,9S,10S)-10-(hydroxymethyl)-9-[4-(4-methylpent-1-ynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(2-pyridinyl)ethanone

ChEBI IDCHEBI:125967
ChEBI Name1-[(8R,9S,10S)-10-(hydroxymethyl)-9-[4-(4-methylpent-1-ynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(2-pyridinyl)ethanone
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DownloadsMolfile
FormulaC28H35N3O2
Net Charge0
Average Mass445.607
Monoisotopic Mass445.27293
SMILESCC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@@H]23)cc1
InChIInChI=1S/C28H35N3O2/c1-21(2)8-7-9-22-11-13-23(14-12-22)28-25-19-30(16-5-6-17-31(25)26(28)20-32)27(33)18-24-10-3-4-15-29-24/h3-4,10-15,21,25-26,28,32H,5-6,8,16-20H2,1-2H3/t25-,26+,28-/m0/s1
InChIKeyXSUKZVLFZXUSSS-REUBFRLUSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(8R,9S,10S)-10-(hydroxymethyl)-9-[4-(4-methylpent-1-ynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(2-pyridinyl)ethanone (CHEBI:125967) is a azetidines (CHEBI:38777)
1-[(8R,9S,10S)-10-(hydroxymethyl)-9-[4-(4-methylpent-1-ynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(2-pyridinyl)ethanone (CHEBI:125967) is a benzenes (CHEBI:22712)
1-[(8R,9S,10S)-10-(hydroxymethyl)-9-[4-(4-methylpent-1-ynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(2-pyridinyl)ethanone (CHEBI:125967) is a ring assembly (CHEBI:36820)
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