EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H24N4O2 |
| Net Charge | 0 |
| Average Mass | 400.482 |
| Monoisotopic Mass | 400.18993 |
| SMILES | COc1ccc(NC(=O)N2C[C@@H]3N[C@H](C2)C3c2ccc(-c3ccncc3)cc2)cc1 |
| InChI | InChI=1S/C24H24N4O2/c1-30-20-8-6-19(7-9-20)26-24(29)28-14-21-23(22(15-28)27-21)18-4-2-16(3-5-18)17-10-12-25-13-11-17/h2-13,21-23,27H,14-15H2,1H3,(H,26,29)/t21-,22+,23? |
| InChIKey | COQDKCRLRIUNRV-AIZNXBIQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (1R,5S)-N-(4-methoxyphenyl)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (CHEBI:125093) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36555 | LINCS |