EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H30N6O2S |
| Net Charge | 0 |
| Average Mass | 466.611 |
| Monoisotopic Mass | 466.21510 |
| SMILES | CCOc1ccc2nc(=O)c(CN(Cc3cccs3)Cc3nnnn3C(C)(C)CC)cc2c1 |
| InChI | InChI=1S/C24H30N6O2S/c1-5-24(3,4)30-22(26-27-28-30)16-29(15-20-8-7-11-33-20)14-18-12-17-13-19(32-6-2)9-10-21(17)25-23(18)31/h7-13H,5-6,14-16H2,1-4H3,(H,25,31) |
| InChIKey | NXHUITDSVPREHK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-ethoxy-3-[[[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one (CHEBI:107997) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19374 | LINCS |