CHEBI:101079 - (2S,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

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ChEBI Name (2S,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
ChEBI ID CHEBI:101079
Stars This entity has been manually annotated by a third party.
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Formula C24H23FN2O2
Net Charge 0
Average Mass 390.451
Monoisotopic Mass 390.17436
InChI InChI=1S/C24H23FN2O2/c25-20-8-4-7-19(13-20)24(29)27-21(14-26)23(22(27)15-28)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h4-5,7-13,21-23,28H,1-3,6,15H2/t21-,22+,23+/m1/s1
InChIKey BSEGMNXKWUIHHS-VJBWXMMDSA-N
SMILES C1CCC(=CC1)C2=CC=C(C=C2)[C@@H]3[C@@H](N([C@@H]3C#N)C(=O)C4=CC(=CC=C4)F)CO
ChEBI Ontology
Outgoing (2S,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:101079) is a azetidines (CHEBI:38777)
(2S,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:101079) is a benzenes (CHEBI:22712)
(2S,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:101079) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-12451 LINCS
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