EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H20N2O3 |
| Net Charge | 0 |
| Average Mass | 396.446 |
| Monoisotopic Mass | 396.14739 |
| SMILES | COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 |
| InChI | InChI=1S/C25H20N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h2-16,23H,1H3,(H,27,28)/t23-/m1/s1 |
| InChIKey | IUMQXQJZIHWLIN-HSZRJFAPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R)-2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-2-phenylacetic acid methyl ester (CHEBI:93066) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3357 | LINCS |