EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H30N6O |
| Net Charge | 0 |
| Average Mass | 454.578 |
| Monoisotopic Mass | 454.24811 |
| SMILES | COc1ccccc1C(c1nnnn1CCc1ccccc1)N1CCN(c2ccccc2)CC1 |
| InChI | InChI=1S/C27H30N6O/c1-34-25-15-9-8-14-24(25)26(32-20-18-31(19-21-32)23-12-6-3-7-13-23)27-28-29-30-33(27)17-16-22-10-4-2-5-11-22/h2-15,26H,16-21H2,1H3 |
| InChIKey | QITXFIQUENDJAS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[(2-methoxyphenyl)-[1-(2-phenylethyl)-5-tetrazolyl]methyl]-4-phenylpiperazine (CHEBI:107078) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18432 | LINCS |