Inhibitor Report for: Difluoromethyl-ketone-BT7
Difluoromethyl-ketone-BT7 | Type | Ketone |
| | Pyrazole |
| Other_Name (5) |
| Chemical_Nomenclature | 2,2-difluoro-1-(1-pentan-3-ylpyrazol-4-yl)ethanone |
| Formula | C10H16F2N2O |
| MW | 234.24 |
| |
| Paper | Cheung_2018_Structure_26_130 |
| Structure | 6ARY |
| Gene_locus | anoga-ACHE1 |
| CID (2) |
| Family | ACHE |
| InChIKey | CXRFTMBBQPEGFB-UHFFFAOYSA-N |
| | LKTXIVWHOJXFEW-VIFPVBQESA-N |
| | OMWCMVDBFIANLH-UHFFFAOYSA-N |
| CanonicalSMILES | CCC(CC)N1C=C(C=N1)C(C(F)F)(O)O |
| | CCC(CC)N1C=C(C=N1)C(=O)C(F)F |
| InChI | InChI=1S/C10H16F2N2O2/c1-3-8(4-2)14-6-7(5-13-14)10(15,16)9(11)12/h5-6,8-9,15-16H,3-4H2,1-2H3 |
| | InChI=1S/C10H14F2N2O/c1-3-8(4-2)14-6-7(5-13-14)9(15)10(11)12/h5-6,8,10H,3-4H2,1-2H3 |
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