EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H25N7O3 |
| Net Charge | 0 |
| Average Mass | 435.488 |
| Monoisotopic Mass | 435.20189 |
| SMILES | COCCn1nnnc1CN(Cc1cccnc1)Cc1cc2cc(OC)ccc2nc1=O |
| InChI | InChI=1S/C22H25N7O3/c1-31-9-8-29-21(25-26-27-29)15-28(13-16-4-3-7-23-12-16)14-18-10-17-11-19(32-2)5-6-20(17)24-22(18)30/h3-7,10-12H,8-9,13-15H2,1-2H3,(H,24,30) |
| InChIKey | HNWJYCYYJRDPDS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-methoxy-3-[[[1-(2-methoxyethyl)-5-tetrazolyl]methyl-(3-pyridinylmethyl)amino]methyl]-1H-quinolin-2-one (CHEBI:105261) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16624 | LINCS |