EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H24N4O2S |
| Net Charge | 0 |
| Average Mass | 432.549 |
| Monoisotopic Mass | 432.16200 |
| SMILES | Cc1cccc(-n2cnc3c(sc4nc(N5CCOCC5)c5c(c43)CCCC5)c2=O)c1 |
| InChI | InChI=1S/C24H24N4O2S/c1-15-5-4-6-16(13-15)28-14-25-20-19-17-7-2-3-8-18(17)22(27-9-11-30-12-10-27)26-23(19)31-21(20)24(28)29/h4-6,13-14H,2-3,7-12H2,1H3 |
| InChIKey | CKZBWBMCWZUAQA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-16990 (CHEBI:105627) is a organic heterobicyclic compound (CHEBI:27171) |
| LSM-16990 (CHEBI:105627) is a organonitrogen heterocyclic compound (CHEBI:38101) |
| LSM-16990 (CHEBI:105627) is a organosulfur heterocyclic compound (CHEBI:38106) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16990 | LINCS |