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CHEBI:99318 - 3-[4-[(2R,3S,4S)-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)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N(C(=O)C4CC4)[C@H]3C#N)cc2)c1 |
| InChI | InChI=1S/C24H25N3O3/c1-26(2)23(29)19-5-3-4-18(12-19)15-6-8-16(9-7-15)22-20(13-25)27(21(22)14-28)24(30)17-10-11-17/h3-9,12,17,20-22,28H,10-11,14H2,1-2H3/t20-,21+,22-/m0/s1 |
| InChIKey | NDTMOTIIGWPVNE-BDTNDASRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[4-[(2R,3S,4S)-2-cyano-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-azetidinyl]phenyl]-N,N-dimethylbenzamide (CHEBI:99318) is a biphenyls (CHEBI:22888) |
| Manual Xrefs | Databases |
|---|---|
| LSM-10697 | LINCS |