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CHEBI:114825 - 4-[4-[(2S,3R,4R)-2-cyano-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-azetidinyl]phenyl]-N,N-dimethylbenzamide
| Formula | C24H25N3O3 |
| Net Charge | 0 |
| Average Mass | 403.482 |
| Monoisotopic Mass | 403.18959 |
| SMILES | CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CC4)[C@H]3CO)cc2)cc1 |
| InChI | InChI=1S/C24H25N3O3/c1-26(2)23(29)18-9-5-16(6-10-18)15-3-7-17(8-4-15)22-20(13-25)27(21(22)14-28)24(30)19-11-12-19/h3-10,19-22,28H,11-12,14H2,1-2H3/t20-,21+,22-/m1/s1 |
| InChIKey | BYRAUYRNNUGPGD-BHIFYINESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[4-[(2S,3R,4R)-2-cyano-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-azetidinyl]phenyl]-N,N-dimethylbenzamide (CHEBI:114825) is a biphenyls (CHEBI:22888) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26287 | LINCS |