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CHEBI:127639 - (2S,3S,4S)-4-(hydroxymethyl)-3-[4-[2-(3-pyridinyl)ethynyl]phenyl]-2-azetidinecarbonitrile

ChEBI IDCHEBI:127639
ChEBI Name(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[2-(3-pyridinyl)ethynyl]phenyl]-2-azetidinecarbonitrile
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FormulaC18H15N3O
Net Charge0
Average Mass289.338
Monoisotopic Mass289.12151
SMILESN#C[C@H]1N[C@H](CO)[C@H]1c1ccc(C#Cc2cccnc2)cc1
InChIInChI=1S/C18H15N3O/c19-10-16-18(17(12-22)21-16)15-7-5-13(6-8-15)3-4-14-2-1-9-20-11-14/h1-2,5-9,11,16-18,21-22H,12H2/t16-,17-,18+/m1/s1
InChIKeyCEWNZZGSWRHALT-KURKYZTESA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[2-(3-pyridinyl)ethynyl]phenyl]-2-azetidinecarbonitrile (CHEBI:127639) is a azetidines (CHEBI:38777)
(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[2-(3-pyridinyl)ethynyl]phenyl]-2-azetidinecarbonitrile (CHEBI:127639) is a benzenes (CHEBI:22712)
(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[2-(3-pyridinyl)ethynyl]phenyl]-2-azetidinecarbonitrile (CHEBI:127639) is a ring assembly (CHEBI:36820)
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LSM-39196LINCS