EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H13FN8O4 |
| Net Charge | 0 |
| Average Mass | 436.363 |
| Monoisotopic Mass | 436.10438 |
| SMILES | Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(F)cc2)c1-c1ccc2c(c1)OCO2 |
| InChI | InChI=1S/C19H13FN8O4/c20-12-4-1-10(2-5-12)8-22-24-19(29)15-16(11-3-6-13-14(7-11)31-9-30-13)28(27-23-15)18-17(21)25-32-26-18/h1-8H,9H2,(H2,21,25)(H,24,29) |
| InChIKey | MNXHJBKLZVSKQD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methylideneamino]-4-triazolecarboxamide (CHEBI:105102) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16465 | LINCS |