CHEBI:130215 - 1-[(8S,9S,10S)-10-(hydroxymethyl)-9-[4-(4-methylpent-1-ynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(2-pyridinyl)ethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(8S,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 ID CHEBI:130215
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H35N3O2
Net Charge 0
Average Mass 445.597
Monoisotopic Mass 445.27293
InChI InChI=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+/m1/s1
InChIKey XSUKZVLFZXUSSS-GTNKKZTPSA-N
SMILES CC(C)CC#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CCCCN3[C@@H]2CO)C(=O)CC4=CC=CC=N4
ChEBI Ontology
Outgoing 1-[(8S,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:130215) is a azetidines (CHEBI:38777)
1-[(8S,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:130215) is a benzenes (CHEBI:22712)
1-[(8S,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:130215) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-41764 LINCS
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