EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H26N4O3 |
| Net Charge | 0 |
| Average Mass | 442.519 |
| Monoisotopic Mass | 442.20049 |
| SMILES | COc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCC5(CC4)OCCO5)n3n2)cc1 |
| InChI | InChI=1S/C26H26N4O3/c1-31-21-9-7-20(8-10-21)23-17-24-27-22(19-5-3-2-4-6-19)18-25(30(24)28-23)29-13-11-26(12-14-29)32-15-16-33-26/h2-10,17-18H,11-16H2,1H3 |
| InChIKey | RGSXJCBSMXDJGZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8-[2-(4-methoxyphenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1,4-dioxa-8-azaspiro[4.5]decane (CHEBI:115076) is a pyrimidines (CHEBI:39447) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26538 | LINCS |