EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:108039 - 1-[3-[1-cyano-2-oxo-2-[(phenylmethyl)amino]ethyl]-2-quinoxalinyl]-3-piperidinecarboxylic acid ethyl ester
| Formula | C26H27N5O3 |
| Net Charge | 0 |
| Average Mass | 457.534 |
| Monoisotopic Mass | 457.21139 |
| SMILES | CCOC(=O)C1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccccc2)C1 |
| InChI | InChI=1S/C26H27N5O3/c1-2-34-26(33)19-11-8-14-31(17-19)24-23(29-21-12-6-7-13-22(21)30-24)20(15-27)25(32)28-16-18-9-4-3-5-10-18/h3-7,9-10,12-13,19-20H,2,8,11,14,16-17H2,1H3,(H,28,32) |
| InChIKey | IUMXMQSPIMHHAM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[3-[1-cyano-2-oxo-2-[(phenylmethyl)amino]ethyl]-2-quinoxalinyl]-3-piperidinecarboxylic acid ethyl ester (CHEBI:108039) is a quinoxaline derivative (CHEBI:38771) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19416 | LINCS |