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CHEBI:101999 - (2S,3S,4S)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

ChEBI IDCHEBI:101999
ChEBI Name(2S,3S,4S)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
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FormulaC19H15FN2O
Net Charge0
Average Mass306.340
Monoisotopic Mass306.11684
SMILESN#C[C@H]1N[C@H](CO)[C@H]1c1ccc(C#Cc2ccccc2F)cc1
InChIInChI=1S/C19H15FN2O/c20-16-4-2-1-3-14(16)8-5-13-6-9-15(10-7-13)19-17(11-21)22-18(19)12-23/h1-4,6-7,9-10,17-19,22-23H,12H2/t17-,18-,19+/m1/s1
InChIKeyBQRBXGWYUGGWQF-QRVBRYPASA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:101999) is a azetidines (CHEBI:38777)
(2S,3S,4S)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:101999) is a benzenes (CHEBI:22712)
(2S,3S,4S)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:101999) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-13360LINCS