EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H25N3O |
| Net Charge | 0 |
| Average Mass | 371.484 |
| Monoisotopic Mass | 371.19976 |
| SMILES | COc1cccc(-c2ccc(C3[C@H]4CNC[C@@H]3N4Cc3cccnc3)cc2)c1 |
| InChI | InChI=1S/C24H25N3O/c1-28-21-6-2-5-20(12-21)18-7-9-19(10-8-18)24-22-14-26-15-23(24)27(22)16-17-4-3-11-25-13-17/h2-13,22-24,26H,14-16H2,1H3/t22-,23+,24? |
| InChIKey | KMOOTCYORQCHDG-VSGJHWFKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (1R,5S)-7-[4-(3-methoxyphenyl)phenyl]-6-(3-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptane (CHEBI:131089) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-42637 | LINCS |