EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H34N4O4 |
| Net Charge | 0 |
| Average Mass | 454.571 |
| Monoisotopic Mass | 454.25801 |
| SMILES | O=C(NC1CCCCC1)N(CCN1CCCC1)Cc1cc2cc3c(cc2nc1=O)OCCO3 |
| InChI | InChI=1S/C25H34N4O4/c30-24-19(14-18-15-22-23(16-21(18)27-24)33-13-12-32-22)17-29(11-10-28-8-4-5-9-28)25(31)26-20-6-2-1-3-7-20/h14-16,20H,1-13,17H2,(H,26,31)(H,27,30) |
| InChIKey | COJJDCZEIKOSRF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-cyclohexyl-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-1-[2-(1-pyrrolidinyl)ethyl]urea (CHEBI:105215) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16578 | LINCS |