EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H28N6O2 |
| Net Charge | 0 |
| Average Mass | 456.550 |
| Monoisotopic Mass | 456.22737 |
| SMILES | COc1ccc2cc(C(c3nnnn3C3CCCC3)N3CCc4ccccc4C3)c(=O)nc2c1 |
| InChI | InChI=1S/C26H28N6O2/c1-34-21-11-10-18-14-22(26(33)27-23(18)15-21)24(25-28-29-30-32(25)20-8-4-5-9-20)31-13-12-17-6-2-3-7-19(17)16-31/h2-3,6-7,10-11,14-15,20,24H,4-5,8-9,12-13,16H2,1H3,(H,27,33) |
| InChIKey | FRLDXENFROMZGP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[(1-cyclopentyl-5-tetrazolyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxy-1H-quinolin-2-one (CHEBI:114572) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26033 | LINCS |