EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130527 - 1-[(8R,9S,10R)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(2-pyridinyl)ethanone

ChEBI IDCHEBI:130527
ChEBI Name1-[(8R,9S,10R)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(2-pyridinyl)ethanone
Stars
DownloadsMolfile
FormulaC27H34N4O2
Net Charge0
Average Mass446.595
Monoisotopic Mass446.26818
SMILESCN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@@H]23)cc1
InChIInChI=1S/C27H34N4O2/c1-29(2)15-7-8-21-10-12-22(13-11-21)27-24-19-30(16-5-6-17-31(24)25(27)20-32)26(33)18-23-9-3-4-14-28-23/h3-4,9-14,24-25,27,32H,5-6,15-20H2,1-2H3/t24-,25-,27-/m0/s1
InChIKeyQDVYWOGHSHKQHP-KLJDGLGGSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(8R,9S,10R)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(2-pyridinyl)ethanone (CHEBI:130527) is a azetidines (CHEBI:38777)
1-[(8R,9S,10R)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(2-pyridinyl)ethanone (CHEBI:130527) is a benzenes (CHEBI:22712)
1-[(8R,9S,10R)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(2-pyridinyl)ethanone (CHEBI:130527) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-42076LINCS