EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H32N6O3S |
| Net Charge | 0 |
| Average Mass | 544.681 |
| Monoisotopic Mass | 544.22566 |
| SMILES | COc1cc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCCC2)c2ccc(C)cc2)ccc1-n1cnnn1 |
| InChI | InChI=1S/C29H32N6O3S/c1-20-10-12-21(13-11-20)28(29(37)31-22-7-4-3-5-8-22)35(27(36)18-24-9-6-16-39-24)23-14-15-25(26(17-23)38-2)34-19-30-32-33-34/h6,9-17,19,22,28H,3-5,7-8,18H2,1-2H3,(H,31,37) |
| InChIKey | NYVYBYFREXPLSM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-cyclohexyl-2-[3-methoxy-N-(1-oxo-2-thiophen-2-ylethyl)-4-(1-tetrazolyl)anilino]-2-(4-methylphenyl)acetamide (CHEBI:105058) is a tetrazoles (CHEBI:35689) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16421 | LINCS |