EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H27N3O2 |
| Net Charge | 0 |
| Average Mass | 377.488 |
| Monoisotopic Mass | 377.21033 |
| SMILES | O=C(CC1CC1)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cccnc1)C2 |
| InChI | InChI=1S/C23H27N3O2/c27-14-20-22(19-6-2-1-3-7-19)23(26(20)21(28)11-17-8-9-17)15-25(16-23)13-18-5-4-10-24-12-18/h1-7,10,12,17,20,22,27H,8-9,11,13-16H2/t20-,22-/m1/s1 |
| InChIKey | NXPTXPDCWOSEKH-IFMALSPDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-cyclopropyl-1-[(2S,3R)-2-(hydroxymethyl)-3-phenyl-6-(3-pyridinylmethyl)-1,6-diazaspiro[3.3]heptan-1-yl]ethanone (CHEBI:128142) is a azetidines (CHEBI:38777) |
| 2-cyclopropyl-1-[(2S,3R)-2-(hydroxymethyl)-3-phenyl-6-(3-pyridinylmethyl)-1,6-diazaspiro[3.3]heptan-1-yl]ethanone (CHEBI:128142) is a benzenes (CHEBI:22712) |
| 2-cyclopropyl-1-[(2S,3R)-2-(hydroxymethyl)-3-phenyl-6-(3-pyridinylmethyl)-1,6-diazaspiro[3.3]heptan-1-yl]ethanone (CHEBI:128142) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39697 | LINCS |