EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| 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)Cc1ccccc1F |
| InChI | InChI=1S/C28H31F2N3O3/c1-18-14-33(19(2)17-34)28(35)23-12-21(22-9-5-7-11-25(22)30)13-31-27(23)36-26(18)16-32(3)15-20-8-4-6-10-24(20)29/h4-13,18-19,26,34H,14-17H2,1-3H3/t18-,19+,26+/m1/s1 |
| InChIKey | WIOZUZDNYVUERU-MVYHEMRASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R)-8-(2-fluorophenyl)-2-[[(2-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:128758) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40311 | LINCS |