General Information of the Compound
| Compound ID |
CP0455559
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| Compound Name |
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]acetamide
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| Structure |
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| Formula |
C19H19F4N3O2
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| Molecular Weight |
397.372
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| Canonical SMILES |
[O-][n+]1ccccc1C1CCN(CC(=O)Nc2ccc(F)cc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C19H19F4N3O2/c20-14-4-5-16(15(11-14)19(21,22)23)24-18(27)12-25-9-6-13(7-10-25)17-3-1-2-8-26(17)28/h1-5,8,11,13H,6-7,9-10,12H2,(H,24,27)
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| InChIKey |
JQDOXCGVYKSXMG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound