EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H31N7O |
| Net Charge | 0 |
| Average Mass | 457.582 |
| Monoisotopic Mass | 457.25901 |
| SMILES | CCC(C)(C)n1nnnc1C(c1ccc2ncccc2c1)N1CCN(c2ccc(O)cc2)CC1 |
| InChI | InChI=1S/C26H31N7O/c1-4-26(2,3)33-25(28-29-30-33)24(20-7-12-23-19(18-20)6-5-13-27-23)32-16-14-31(15-17-32)21-8-10-22(34)11-9-21/h5-13,18,24,34H,4,14-17H2,1-3H3 |
| InChIKey | ICDKBCHZJUMXBU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[4-[[1-(2-methylbutan-2-yl)-5-tetrazolyl]-(6-quinolinyl)methyl]-1-piperazinyl]phenol (CHEBI:105485) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16848 | LINCS |