EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H26N4OS |
| Net Charge | 0 |
| Average Mass | 418.566 |
| Monoisotopic Mass | 418.18273 |
| SMILES | CN(C)C(=O)c1cccc(-c2ccc(C3[C@@H]4CN(Cc5nccs5)C[C@H]3N4)cc2)c1 |
| InChI | InChI=1S/C24H26N4OS/c1-27(2)24(29)19-5-3-4-18(12-19)16-6-8-17(9-7-16)23-20-13-28(14-21(23)26-20)15-22-25-10-11-30-22/h3-12,20-21,23,26H,13-15H2,1-2H3/t20-,21+,23? |
| InChIKey | MXUMALAKGYBHST-TYABSZSSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N,N-dimethyl-3-[4-[(1S,5R)-3-(2-thiazolylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide (CHEBI:125043) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36505 | LINCS |