EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C28H31F2N3O3 |
| Net Charge | 0 |
| Average Mass | 495.570 |
| Monoisotopic Mass | 495.23335 |
| SMILES | C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccccc3F)cnc2O[C@H]1CN(C)Cc1cccc(F)c1 |
| InChI | InChI=1S/C28H31F2N3O3/c1-18-14-33(19(2)17-34)28(35)24-12-21(23-9-4-5-10-25(23)30)13-31-27(24)36-26(18)16-32(3)15-20-7-6-8-22(29)11-20/h4-13,18-19,26,34H,14-17H2,1-3H3/t18-,19-,26+/m1/s1 |
| InChIKey | NAZKFJIDOIPBCY-UDCNLSRBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R)-8-(2-fluorophenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:103726) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15070 | LINCS |