EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H22N4O3S |
| Net Charge | 0 |
| Average Mass | 362.455 |
| Monoisotopic Mass | 362.14126 |
| SMILES | CC(=O)NC[C@@H]1C[C@@H](NS(=O)(=O)c2cccc3cncc(C)c23)CN1 |
| InChI | InChI=1S/C17H22N4O3S/c1-11-7-18-8-13-4-3-5-16(17(11)13)25(23,24)21-15-6-14(20-10-15)9-19-12(2)22/h3-5,7-8,14-15,20-21H,6,9-10H2,1-2H3,(H,19,22)/t14-,15+/m0/s1 |
| InChIKey | KAAADIFKRHNJHA-LSDHHAIUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[(2S,4R)-4-[(4-methyl-5-isoquinolinyl)sulfonylamino]-2-pyrrolidinyl]methyl]acetamide (CHEBI:117901) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-29350 | LINCS |