EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H21F4N3O3 |
| Net Charge | 0 |
| Average Mass | 439.409 |
| Monoisotopic Mass | 439.15190 |
| SMILES | CN1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC(F)(F)F |
| InChI | InChI=1S/C21H21F4N3O3/c1-27-17-13(14(9-29)18(27)19(30)26-10-21(23,24)25)8-28-16(17)7-6-12(20(28)31)11-4-2-3-5-15(11)22/h2-7,13-14,17-18,29H,8-10H2,1H3,(H,26,30)/t13-,14-,17+,18-/m1/s1 |
| InChIKey | IFOYIUHYIPKUPM-KJWYOANISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R,3aS,9bS)-7-(2-fluorophenyl)-3-(hydroxymethyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:99859) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-11238 | LINCS |