EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H26N4O5 |
| Net Charge | 0 |
| Average Mass | 462.506 |
| Monoisotopic Mass | 462.19032 |
| SMILES | COc1cccc(C2C3C(=O)CCCC3=Nc3nc(-c4cc(OC)c(OC)c(OC)c4)nn32)c1 |
| InChI | InChI=1S/C25H26N4O5/c1-31-16-8-5-7-14(11-16)22-21-17(9-6-10-18(21)30)26-25-27-24(28-29(22)25)15-12-19(32-2)23(34-4)20(13-15)33-3/h5,7-8,11-13,21-22H,6,9-10H2,1-4H3 |
| InChIKey | XCCGRPBTRMJBHY-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-28275 (CHEBI:116824) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28275 | LINCS |