EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H32N6O4 |
| Net Charge | 0 |
| Average Mass | 492.580 |
| Monoisotopic Mass | 492.24850 |
| SMILES | COc1ccc2nc(=O)c(C(c3nnnn3C(C)(C)C)N(Cc3ccco3)CC3CCCO3)cc2c1 |
| InChI | InChI=1S/C26H32N6O4/c1-26(2,3)32-24(28-29-30-32)23(21-14-17-13-18(34-4)9-10-22(17)27-25(21)33)31(15-19-7-5-11-35-19)16-20-8-6-12-36-20/h5,7,9-11,13-14,20,23H,6,8,12,15-16H2,1-4H3,(H,27,33) |
| InChIKey | VWLAIDWVJVSANK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[(1-tert-butyl-5-tetrazolyl)-[2-furanylmethyl(2-oxolanylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one (CHEBI:113092) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24502 | LINCS |