EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C28H31FN4O4 |
| Net Charge | 0 |
| Average Mass | 506.578 |
| Monoisotopic Mass | 506.23293 |
| SMILES | C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3ccc(F)cc3)cnc2O[C@@H]1CN(C)C(=O)Cc1ccccn1 |
| InChI | InChI=1S/C28H31FN4O4/c1-18-15-33(19(2)17-34)28(36)24-12-21(20-7-9-22(29)10-8-20)14-31-27(24)37-25(18)16-32(3)26(35)13-23-6-4-5-11-30-23/h4-12,14,18-19,25,34H,13,15-17H2,1-3H3/t18-,19-,25+/m0/s1 |
| InChIKey | ZMBSZSRZHSICHB-XHNVNVPESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[(2S,3S)-8-(4-fluorophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide (CHEBI:96108) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-7487 | LINCS |