EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H17ClN2O5S2 |
| Net Charge | 0 |
| Average Mass | 476.963 |
| Monoisotopic Mass | 476.02674 |
| SMILES | O=C(O)CN1C(=O)C2C3CC(C2C1=O)C1C(c2ccc(Cl)cc2)c2sc(=O)nc2SC31 |
| InChI | InChI=1S/C21H17ClN2O5S2/c22-8-3-1-7(2-4-8)12-13-9-5-10(16(13)30-18-17(12)31-21(29)23-18)15-14(9)19(27)24(20(15)28)6-11(25)26/h1-4,9-10,12-16H,5-6H2,(H,23,29)(H,25,26) |
| InChIKey | FXXPMNMDMFDBKP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-32057 (CHEBI:120614) is a isoindoles (CHEBI:24897) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32057 | LINCS |