EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H20N2OS |
| Net Charge | 0 |
| Average Mass | 336.460 |
| Monoisotopic Mass | 336.12963 |
| SMILES | CC1CC(C)(C)N2C(=O)C3(Nc4ccccc4S3)c3cccc1c32 |
| InChI | InChI=1S/C20H20N2OS/c1-12-11-19(2,3)22-17-13(12)7-6-8-14(17)20(18(22)23)21-15-9-4-5-10-16(15)24-20/h4-10,12,21H,11H2,1-3H3 |
| InChIKey | BFQJGJYTDOYXDQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-4833 (CHEBI:94211) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4833 | LINCS |