EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H34N4O3S2 |
| Net Charge | 0 |
| Average Mass | 562.761 |
| Monoisotopic Mass | 562.20723 |
| SMILES | CCc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2c1 |
| InChI | InChI=1S/C30H34N4O3S2/c1-4-22-12-17-26-28(21-22)38-30(31-26)33(19-8-18-32(2)3)29(35)24-13-15-25(16-14-24)39(36,37)34-20-7-10-23-9-5-6-11-27(23)34/h5-6,9,11-17,21H,4,7-8,10,18-20H2,1-3H3 |
| InChIKey | WXUASCZMBUYHBV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide (CHEBI:104079) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15437 | LINCS |