EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H16ClN3OS |
| Net Charge | 0 |
| Average Mass | 357.866 |
| Monoisotopic Mass | 357.07026 |
| SMILES | O=C(c1cccs1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 |
| InChI | InChI=1S/C18H16ClN3OS/c19-13-3-4-14-15(12-13)20-6-5-16(14)21-7-9-22(10-8-21)18(23)17-2-1-11-24-17/h1-6,11-12H,7-10H2 |
| InChIKey | VDOKGDMLRMELRV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [4-(7-chloro-4-quinolinyl)-1-piperazinyl]-thiophen-2-ylmethanone (CHEBI:95309) is a piperazines (CHEBI:26144) |
| [4-(7-chloro-4-quinolinyl)-1-piperazinyl]-thiophen-2-ylmethanone (CHEBI:95309) is a pyridines (CHEBI:26421) |
| Manual Xrefs | Databases |
|---|---|
| LSM-6661 | LINCS |