Inhibitor Report for: Piperidinone-constrained-phenethylamine-31
| Piperidinone-constrained-phenethylamine-31 | Type | Benzodioxo |
|---|
| | Trifluoro |
| | Piperidine |
| Other_Name (5) |
| Chemical_Nomenclature | (4R,5R)-5-amino-1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one |
| Formula | C20H19F3N2O3 |
| MW | 392.37 |
|  |
| Paper | Pei_2007_J.Med.Chem_50_1983 |
| Structure | 2OQI |
| Gene_locus | human-DPP4 |
| CID | 16040279 |
| Family | DPP4N_Peptidase_S9 |
| InChIKey | DIRIFWIKLRTNMB-DYVFJYSZSA-N |
| CanonicalSMILES | C1C(C(CN(C1=O)CCC2=CC3=C(C=C2)OCO3)N)C4=CC(=C(C=C4F)F)F |
| InChI | InChI=1S/C20H19F3N2O3/c21-14-8-16(23)15(22)6-12(14)13-7-20(26)25(9-17(13)24)4-3-11-1-2-18-19(5-11)28-10-27-18/h1-2,5-6,8,13,17H,3-4,7,9-10,24H2/t13-,17+/m1/s1 |
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