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CHEBI:100466 - (2S,3R,4R)-1-(5-ethyl-2-thiazolyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

ChEBI IDCHEBI:100466
ChEBI Name(2S,3R,4R)-1-(5-ethyl-2-thiazolyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
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FormulaC22H20FN3OS
Net Charge0
Average Mass393.487
Monoisotopic Mass393.13111
SMILESCCc1cnc(N2[C@H](C#N)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2CO)s1
InChIInChI=1S/C22H20FN3OS/c1-2-18-12-25-22(28-18)26-19(11-24)21(20(26)13-27)15-8-6-14(7-9-15)16-4-3-5-17(23)10-16/h3-10,12,19-21,27H,2,13H2,1H3/t19-,20+,21-/m1/s1
InChIKeyIQRVCTXELZIWDH-QHAWAJNXSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4R)-1-(5-ethyl-2-thiazolyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:100466) is a biphenyls (CHEBI:22888)
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