General Information of the Compound
| Compound ID |
CP0378823
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| Compound Name |
N-(2,4-difluorophenyl)-2-[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]acetamide
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| Structure |
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| Formula |
C18H19F2N3O2
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| Molecular Weight |
347.365
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| Canonical SMILES |
[O-][n+]1ccccc1C1CCN(CC(=O)Nc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C18H19F2N3O2/c19-14-4-5-16(15(20)11-14)21-18(24)12-22-9-6-13(7-10-22)17-3-1-2-8-23(17)25/h1-5,8,11,13H,6-7,9-10,12H2,(H,21,24)
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| InChIKey |
AZWFLBHOULILFW-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