EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H25N3O5S |
| Net Charge | 0 |
| Average Mass | 455.536 |
| Monoisotopic Mass | 455.15149 |
| SMILES | O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCc2ccccc21 |
| InChI | InChI=1S/C23H25N3O5S/c27-22(24-19-9-5-7-16-6-1-2-8-18(16)19)15-26-20-11-10-17(14-21(20)31-23(26)28)32(29,30)25-12-3-4-13-25/h1-2,6,8,10-11,14,19H,3-5,7,9,12-13,15H2,(H,24,27) |
| InChIKey | ICTSJMZEXPICDD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CHEBI:105767) is a benzoxazole (CHEBI:46700) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17129 | LINCS |