EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C25H23FN4O3 |
| Net Charge | 0 |
| Average Mass | 446.482 |
| Monoisotopic Mass | 446.17542 |
| SMILES | O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 |
| InChI | InChI=1S/C25H23FN4O3/c26-19-5-1-2-6-20(19)28-25(33)29-13-21-24(22(15-31)30(21)23(32)14-29)17-9-7-16(8-10-17)18-4-3-11-27-12-18/h1-12,21-22,24,31H,13-15H2,(H,28,33)/t21-,22+,24-/m0/s1 |
| InChIKey | DYGXIGZWPPRTRB-ZDXQCDESSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (6R,7S,8S)-N-(2-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:127302) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-38862 | LINCS |