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CHEBI:99236 - (2S,3R,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-2-azetidinecarbonitrile

ChEBI IDCHEBI:99236
ChEBI Name(2S,3R,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-2-azetidinecarbonitrile
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DownloadsMolfile
FormulaC25H18FN3O2
Net Charge0
Average Mass411.436
Monoisotopic Mass411.13831
SMILESN#C[C@@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H](CO)N1C(=O)c1cccnc1
InChIInChI=1S/C25H18FN3O2/c26-21-6-2-1-4-18(21)10-7-17-8-11-19(12-9-17)24-22(14-27)29(23(24)16-30)25(31)20-5-3-13-28-15-20/h1-6,8-9,11-13,15,22-24,30H,16H2/t22-,23+,24-/m1/s1
InChIKeyNFTCJLSEEOPUCW-TZRRMPRUSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-2-azetidinecarbonitrile (CHEBI:99236) is a azetidines (CHEBI:38777)
(2S,3R,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-2-azetidinecarbonitrile (CHEBI:99236) is a benzenes (CHEBI:22712)
(2S,3R,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-2-azetidinecarbonitrile (CHEBI:99236) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
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