EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130726 - (8R,9S,10R)-N-(3-fluorophenyl)-10-(hydroxymethyl)-9-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

ChEBI IDCHEBI:130726
ChEBI Name(8R,9S,10R)-N-(3-fluorophenyl)-10-(hydroxymethyl)-9-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
Stars
DownloadsMolfile
FormulaC29H29FN4O2
Net Charge0
Average Mass484.575
Monoisotopic Mass484.22745
SMILESO=C(Nc1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1
InChIInChI=1S/C29H29FN4O2/c30-24-6-3-7-25(17-24)32-29(36)33-15-1-2-16-34-26(19-33)28(27(34)20-35)23-12-10-21(11-13-23)8-9-22-5-4-14-31-18-22/h3-7,10-14,17-18,26-28,35H,1-2,15-16,19-20H2,(H,32,36)/t26-,27-,28-/m0/s1
InChIKeyDPVYQVLSTSPGBR-KCHLEUMXSA-N
ChEBI Ontology
Outgoing Relation(s)
(8R,9S,10R)-N-(3-fluorophenyl)-10-(hydroxymethyl)-9-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:130726) is a azetidines (CHEBI:38777)
(8R,9S,10R)-N-(3-fluorophenyl)-10-(hydroxymethyl)-9-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:130726) is a benzenes (CHEBI:22712)
(8R,9S,10R)-N-(3-fluorophenyl)-10-(hydroxymethyl)-9-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:130726) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-42275LINCS