EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H23N3O5S |
| Net Charge | 0 |
| Average Mass | 477.542 |
| Monoisotopic Mass | 477.13584 |
| SMILES | O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 |
| InChI | InChI=1S/C25H23N3O5S/c29-20(11-4-12-28-24(31)16-7-1-2-8-17(16)25(28)32)27-23-21(18-9-3-10-19(18)34-23)22(30)26-14-15-6-5-13-33-15/h1-2,5-8,13H,3-4,9-12,14H2,(H,26,30)(H,27,29) |
| InChIKey | BTNOGGLWFRDYAX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-N-(2-furanylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CHEBI:108422) is a phthalimides (CHEBI:82851) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19798 | LINCS |