EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H19FN5O4S2 |
| Net Charge | +1 |
| Average Mass | 488.546 |
| Monoisotopic Mass | 488.08570 |
| SMILES | CCOC(=O)c1c(NC(=O)CSc2nnc3c(nc4ccc(F)cc43)[nH+]2)sc(C(C)=O)c1C |
| InChI | InChI=1S/C21H18FN5O4S2/c1-4-31-20(30)15-9(2)17(10(3)28)33-19(15)24-14(29)8-32-21-25-18-16(26-27-21)12-7-11(22)5-6-13(12)23-18/h5-7H,4,8H2,1-3H3,(H,24,29)(H,23,25,27)/p+1 |
| InChIKey | ARSWWWGWBZMJEK-UHFFFAOYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-32682 (CHEBI:121239) is a indoles (CHEBI:24828) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32682 | LINCS |