EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H30N6O2 |
| Net Charge | 0 |
| Average Mass | 458.566 |
| Monoisotopic Mass | 458.24302 |
| SMILES | CCC(C)(C)n1nnnc1C(c1cc2ccc(OC)cc2nc1=O)N1CCc2ccccc2C1 |
| InChI | InChI=1S/C26H30N6O2/c1-5-26(2,3)32-24(28-29-30-32)23(31-13-12-17-8-6-7-9-19(17)16-31)21-14-18-10-11-20(34-4)15-22(18)27-25(21)33/h6-11,14-15,23H,5,12-13,16H2,1-4H3,(H,27,33) |
| InChIKey | WWWIBCLGMNAXSH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-one (CHEBI:107986) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19363 | LINCS |