EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H23FN4O2S |
| Net Charge | 0 |
| Average Mass | 414.506 |
| Monoisotopic Mass | 414.15258 |
| SMILES | CC1CCN(C(=O)Cn2c3ccc(F)cc3c3nc4n(c(=O)c32)CCCS4)CC1 |
| InChI | InChI=1S/C21H23FN4O2S/c1-13-5-8-24(9-6-13)17(27)12-26-16-4-3-14(22)11-15(16)18-19(26)20(28)25-7-2-10-29-21(25)23-18/h3-4,11,13H,2,5-10,12H2,1H3 |
| InChIKey | YISVHJQRWSRYBI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-3706 (CHEBI:93340) is a indoles (CHEBI:24828) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3706 | LINCS |