EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H25N3O4S |
| Net Charge | 0 |
| Average Mass | 463.559 |
| Monoisotopic Mass | 463.15658 |
| SMILES | COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCCc5sccc54)C3=O)c2C)cc1 |
| InChI | InChI=1S/C25H25N3O4S/c1-15-13-19(16(2)28(15)17-6-8-18(32-3)9-7-17)21(29)14-27-23(30)25(26-24(27)31)11-4-5-22-20(25)10-12-33-22/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,26,31) |
| InChIKey | BOOAAVBIPNGXKJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3'-[2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione (CHEBI:114457) is a pyrroles (CHEBI:26455) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25918 | LINCS |