EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H26N6O3S |
| Net Charge | 0 |
| Average Mass | 490.589 |
| Monoisotopic Mass | 490.17871 |
| SMILES | Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCc2ccccc2)nn1 |
| InChI | InChI=1S/C25H26N6O3S/c1-17-14-21(30-29-17)28-23(33)16-35-25-27-20-11-6-5-10-19(20)24(34)31(25)13-7-12-22(32)26-15-18-8-3-2-4-9-18/h2-6,8-11,14H,7,12-13,15-16H2,1H3,(H,26,32)(H2,28,29,30,33) |
| InChIKey | ZWEOMTILKLVITE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[2-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-N-(phenylmethyl)butanamide (CHEBI:121457) is a quinazolines (CHEBI:38530) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32900 | LINCS |