EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H28N4O3S |
| Net Charge | 0 |
| Average Mass | 488.613 |
| Monoisotopic Mass | 488.18821 |
| SMILES | COc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)N1CCC(Cc2ccccc2)CC1)CCS3 |
| InChI | InChI=1S/C27H28N4O3S/c1-34-20-7-8-22-21(16-20)24-25(26(33)30-13-14-35-27(30)28-24)31(22)17-23(32)29-11-9-19(10-12-29)15-18-5-3-2-4-6-18/h2-8,16,19H,9-15,17H2,1H3 |
| InChIKey | IVUIXLGQUMIHNB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-6617 (CHEBI:95282) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-6617 | LINCS |