General Information of the Compound
| Compound ID |
CP0433042
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| Compound Name |
2-[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide
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| Structure |
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| Formula |
C19H20F3N3O3
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| Molecular Weight |
395.381
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| Canonical SMILES |
[O-][n+]1ccccc1C1CCN(CC(=O)Nc2cccc(OC(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C19H20F3N3O3/c20-19(21,22)28-16-5-3-4-15(12-16)23-18(26)13-24-10-7-14(8-11-24)17-6-1-2-9-25(17)27/h1-6,9,12,14H,7-8,10-11,13H2,(H,23,26)
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| InChIKey |
BXFVNILYDIGYSV-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