CHEBI:129255 - cyclobutyl-[(8S,9R,10S)-10-(hydroxymethyl)-9-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cyclobutyl-[(8S,9R,10S)-10-(hydroxymethyl)-9-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone
ChEBI ID CHEBI:129255
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H34N2O3
Net Charge 0
Average Mass 458.593
Monoisotopic Mass 458.25694
InChI InChI=1S/C29H34N2O3/c1-34-27-10-3-2-7-22(27)14-11-21-12-15-23(16-13-21)28-25-19-30(29(33)24-8-6-9-24)17-4-5-18-31(25)26(28)20-32/h2-3,7,10,12-13,15-16,24-26,28,32H,4-6,8-9,17-20H2,1H3/t25-,26-,28-/m1/s1
InChIKey NRAVNVUUWRMRFK-STROYTFGSA-N
SMILES COC1=CC=CC=C1C#CC2=CC=C(C=C2)[C@@H]3[C@H]4CN(CCCCN4[C@@H]3CO)C(=O)C5CCC5
ChEBI Ontology
Outgoing cyclobutyl-[(8S,9R,10S)-10-(hydroxymethyl)-9-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone (CHEBI:129255) is a azetidines (CHEBI:38777)
cyclobutyl-[(8S,9R,10S)-10-(hydroxymethyl)-9-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone (CHEBI:129255) is a benzenes (CHEBI:22712)
cyclobutyl-[(8S,9R,10S)-10-(hydroxymethyl)-9-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone (CHEBI:129255) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-40806 LINCS
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