EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H26N4O3 |
| Net Charge | 0 |
| Average Mass | 406.486 |
| Monoisotopic Mass | 406.20049 |
| SMILES | COc1ccc(-c2cc3nc4c(c(N5CCC6(CC5)OCCO6)n3n2)CCC4)cc1 |
| InChI | InChI=1S/C23H26N4O3/c1-28-17-7-5-16(6-8-17)20-15-21-24-19-4-2-3-18(19)22(27(21)25-20)26-11-9-23(10-12-26)29-13-14-30-23/h5-8,15H,2-4,9-14H2,1H3 |
| InChIKey | NDJRQAYOONYZHS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-28273 (CHEBI:116822) is a pyrazoles (CHEBI:26410) |
| LSM-28273 (CHEBI:116822) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28273 | LINCS |