CHEBI:98318 - (2S,3R,4S)-3-[4-(cyclohexen-1-yl)phenyl]-1-(3-fluorobenzoyl)-4-(hydroxymethyl)azetidine-2-carbonitrile

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ChEBI Name (2S,3R,4S)-3-[4-(cyclohexen-1-yl)phenyl]-1-(3-fluorobenzoyl)-4-(hydroxymethyl)azetidine-2-carbonitrile
ChEBI ID CHEBI:98318
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-DNVJHFABSA-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,3R,4S)-3-[4-(cyclohexen-1-yl)phenyl]-1-(3-fluorobenzoyl)-4-(hydroxymethyl)azetidine-2-carbonitrile (CHEBI:98318) is a azetidines (CHEBI:38777)
(2S,3R,4S)-3-[4-(cyclohexen-1-yl)phenyl]-1-(3-fluorobenzoyl)-4-(hydroxymethyl)azetidine-2-carbonitrile (CHEBI:98318) is a benzenes (CHEBI:22712)
(2S,3R,4S)-3-[4-(cyclohexen-1-yl)phenyl]-1-(3-fluorobenzoyl)-4-(hydroxymethyl)azetidine-2-carbonitrile (CHEBI:98318) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-9697 LINCS
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