EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H26ClN5O |
| Net Charge | 0 |
| Average Mass | 399.926 |
| Monoisotopic Mass | 399.18259 |
| SMILES | Cc1nnn(C23CC4CC(CC(CC(=O)Nc5ccc(C)c(Cl)c5)(C4)C2)C3)n1 |
| InChI | InChI=1S/C21H26ClN5O/c1-13-3-4-17(6-18(13)22)23-19(28)11-20-7-15-5-16(8-20)10-21(9-15,12-20)27-25-14(2)24-26-27/h3-4,6,15-16H,5,7-12H2,1-2H3,(H,23,28) |
| InChIKey | BNIKBLBYQYVLRK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(3-chloro-4-methylphenyl)-2-[3-(5-methyl-2-tetrazolyl)-1-adamantyl]acetamide (CHEBI:107524) is a anilide (CHEBI:13248) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18880 | LINCS |