EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H26ClN3O3 |
| Net Charge | 0 |
| Average Mass | 415.921 |
| Monoisotopic Mass | 415.16627 |
| SMILES | COc1ccc(N(C(=O)CCl)C(C(=O)NC2CCCCC2)c2cccnc2)cc1 |
| InChI | InChI=1S/C22H26ClN3O3/c1-29-19-11-9-18(10-12-19)26(20(27)14-23)21(16-6-5-13-24-15-16)22(28)25-17-7-3-2-4-8-17/h5-6,9-13,15,17,21H,2-4,7-8,14H2,1H3,(H,25,28) |
| InChIKey | NIVDDIMEGJOZQH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide (CHEBI:91774) has functional parent α-amino acid (CHEBI:33704) |
| 2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide (CHEBI:91774) is a organonitrogen compound (CHEBI:35352) |
| 2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide (CHEBI:91774) is a organooxygen compound (CHEBI:36963) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1663 | LINCS |