EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130643 - [(8S,9S,10R)-9-[4-(3-methoxyprop-1-ynyl)phenyl]-6-(pyridin-4-ylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

ChEBI IDCHEBI:130643
ChEBI Name[(8S,9S,10R)-9-[4-(3-methoxyprop-1-ynyl)phenyl]-6-(pyridin-4-ylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
Stars
DownloadsMolfile
FormulaC25H31N3O2
Net Charge0
Average Mass405.542
Monoisotopic Mass405.24163
SMILESCOCC#Cc1ccc([C@H]2[C@H]3CN(Cc4ccncc4)CCCCN3[C@H]2CO)cc1
InChIInChI=1S/C25H31N3O2/c1-30-16-4-5-20-6-8-22(9-7-20)25-23-18-27(17-21-10-12-26-13-11-21)14-2-3-15-28(23)24(25)19-29/h6-13,23-25,29H,2-3,14-19H2,1H3/t23-,24+,25+/m1/s1
InChIKeyWBNOWOOYVTXOTG-DSITVLBTSA-N
ChEBI Ontology
Outgoing Relation(s)
[(8S,9S,10R)-9-[4-(3-methoxyprop-1-ynyl)phenyl]-6-(pyridin-4-ylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:130643) is a azetidines (CHEBI:38777)
[(8S,9S,10R)-9-[4-(3-methoxyprop-1-ynyl)phenyl]-6-(pyridin-4-ylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:130643) is a benzenes (CHEBI:22712)
[(8S,9S,10R)-9-[4-(3-methoxyprop-1-ynyl)phenyl]-6-(pyridin-4-ylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:130643) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-42192LINCS