EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H30FN3O4 |
| Net Charge | 0 |
| Average Mass | 491.563 |
| Monoisotopic Mass | 491.22203 |
| SMILES | C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccccc3)cnc2O[C@H]1CN(C)C(=O)c1ccccc1F |
| InChI | InChI=1S/C28H30FN3O4/c1-18-15-32(19(2)17-33)28(35)23-13-21(20-9-5-4-6-10-20)14-30-26(23)36-25(18)16-31(3)27(34)22-11-7-8-12-24(22)29/h4-14,18-19,25,33H,15-17H2,1-3H3/t18-,19-,25+/m1/s1 |
| InChIKey | LKWROLXNVKNHNW-RRQZXNHTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-fluoro-N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide (CHEBI:110034) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21461 | LINCS |