EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H21N3O5 |
| Net Charge | 0 |
| Average Mass | 443.459 |
| Monoisotopic Mass | 443.14812 |
| SMILES | COc1cccc(C(=O)N(Cc2ccc3c(c2)OCO3)Cc2nc(=O)c3ccccc3n2)c1 |
| InChI | InChI=1S/C25H21N3O5/c1-31-18-6-4-5-17(12-18)25(30)28(13-16-9-10-21-22(11-16)33-15-32-21)14-23-26-20-8-3-2-7-19(20)24(29)27-23/h2-12H,13-15H2,1H3,(H,26,27,29) |
| InChIKey | PRJJGFWUIYMQOA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide (CHEBI:116456) is a quinazolines (CHEBI:38530) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27910 | LINCS |