EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H26FN3O3 |
| Net Charge | 0 |
| Average Mass | 423.488 |
| Monoisotopic Mass | 423.19582 |
| SMILES | O=C(Nc1ccccc1F)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 |
| InChI | InChI=1S/C24H26FN3O3/c25-18-8-4-5-9-19(18)26-23(31)27-14-24(15-27)22(17-6-2-1-3-7-17)20(13-29)28(24)21(30)12-16-10-11-16/h1-9,16,20,22,29H,10-15H2,(H,26,31)/t20-,22+/m1/s1 |
| InChIKey | WQLPCJKSKJLOJT-IRLDBZIGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S)-1-(2-cyclopropyl-1-oxoethyl)-N-(2-fluorophenyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptane-6-carboxamide (CHEBI:129285) is a azetidines (CHEBI:38777) |
| (2S,3S)-1-(2-cyclopropyl-1-oxoethyl)-N-(2-fluorophenyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptane-6-carboxamide (CHEBI:129285) is a benzenes (CHEBI:22712) |
| (2S,3S)-1-(2-cyclopropyl-1-oxoethyl)-N-(2-fluorophenyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptane-6-carboxamide (CHEBI:129285) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40836 | LINCS |