EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H32FN3O5S |
| Net Charge | 0 |
| Average Mass | 505.612 |
| Monoisotopic Mass | 505.20467 |
| SMILES | CC=Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)Nc1cccc(F)c1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O |
| InChI | InChI=1S/C25H32FN3O5S/c1-5-7-19-10-11-24-22(12-19)34-23(17(2)14-29(18(3)16-30)35(24,32)33)15-28(4)25(31)27-21-9-6-8-20(26)13-21/h5-13,17-18,23,30H,14-16H2,1-4H3,(H,27,31)/t17-,18+,23+/m1/s1 |
| InChIKey | PICQTSXUFYQQHP-STSQHVNTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-7452 (CHEBI:96073) is a ureas (CHEBI:47857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-7452 | LINCS |