EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:131309 - cyclobutyl-[(8S,9S,10R)-10-(hydroxymethyl)-9-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone

ChEBI IDCHEBI:131309
ChEBI Namecyclobutyl-[(8S,9S,10R)-10-(hydroxymethyl)-9-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone
Stars
DownloadsMolfile
FormulaC29H34N2O3
Net Charge0
Average Mass458.602
Monoisotopic Mass458.25694
SMILESCOc1ccccc1C#Cc1ccc([C@H]2[C@H]3CN(C(=O)C4CCC4)CCCCN3[C@H]2CO)cc1
InChIInChI=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
InChIKeyNRAVNVUUWRMRFK-PBWSGDRGSA-N
ChEBI Ontology
Outgoing Relation(s)
cyclobutyl-[(8S,9S,10R)-10-(hydroxymethyl)-9-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone (CHEBI:131309) is a azetidines (CHEBI:38777)
cyclobutyl-[(8S,9S,10R)-10-(hydroxymethyl)-9-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone (CHEBI:131309) is a benzenes (CHEBI:22712)
cyclobutyl-[(8S,9S,10R)-10-(hydroxymethyl)-9-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone (CHEBI:131309) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-37996LINCS