EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H30N4O2 |
| Net Charge | 0 |
| Average Mass | 418.541 |
| Monoisotopic Mass | 418.23688 |
| SMILES | CC=Cc1ccc([C@@H]2[C@H](CO)N(Cc3cncnc3)C23CN(C(=O)CC2CC2)C3)cc1 |
| InChI | InChI=1S/C25H30N4O2/c1-2-3-18-6-8-21(9-7-18)24-22(14-30)29(13-20-11-26-17-27-12-20)25(24)15-28(16-25)23(31)10-19-4-5-19/h2-3,6-9,11-12,17,19,22,24,30H,4-5,10,13-16H2,1H3/t22-,24+/m0/s1 |
| InChIKey | CEWJYQYGXCECNS-LADGPHEKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-37790 (CHEBI:126223) is a azetidines (CHEBI:38777) |
| LSM-37790 (CHEBI:126223) is a benzenes (CHEBI:22712) |
| LSM-37790 (CHEBI:126223) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37790 | LINCS |