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CHEBI:100958 - (2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile
| Formula | C22H25N3OS |
| Net Charge | 0 |
| Average Mass | 379.529 |
| Monoisotopic Mass | 379.17183 |
| SMILES | CCc1cnc(N2[C@H](C#N)[C@@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2CO)s1 |
| InChI | InChI=1S/C22H25N3OS/c1-2-18-13-24-22(27-18)25-19(12-23)21(20(25)14-26)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h6,8-11,13,19-21,26H,2-5,7,14H2,1H3/t19-,20+,21-/m1/s1 |
| InChIKey | DBVJKEGLTFFIFT-QHAWAJNXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:100958) is a azetidines (CHEBI:38777) |
| (2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:100958) is a benzenes (CHEBI:22712) |
| (2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:100958) is a ring assembly (CHEBI:36820) |
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| LSM-12331 | LINCS |