EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H31N5O3 |
| Net Charge | 0 |
| Average Mass | 449.555 |
| Monoisotopic Mass | 449.24269 |
| SMILES | COc1cccc(CC(NC(C)=O)C(=O)NC2CCN(c3nc(C)cc(C)c3C#N)CC2)c1 |
| InChI | InChI=1S/C25H31N5O3/c1-16-12-17(2)27-24(22(16)15-26)30-10-8-20(9-11-30)29-25(32)23(28-18(3)31)14-19-6-5-7-21(13-19)33-4/h5-7,12-13,20,23H,8-11,14H2,1-4H3,(H,28,31)(H,29,32) |
| InChIKey | NWUFGLDPGOLEFF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-piperidinyl]-3-(3-methoxyphenyl)propanamide (CHEBI:121515) is a phenylalanine derivative (CHEBI:25985) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32958 | LINCS |