General Information of the Compound
| Compound ID |
CP0451711
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| Compound Name |
N-(2,6-dimethylphenyl)-2-[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]acetamide
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| Structure |
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| Formula |
C20H25N3O2
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| Molecular Weight |
339.439
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| Canonical SMILES |
Cc1cccc(C)c1NC(=O)CN1CCC(CC1)c1cccc[n+]1[O-]
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| InChI |
InChI=1S/C20H25N3O2/c1-15-6-5-7-16(2)20(15)21-19(24)14-22-12-9-17(10-13-22)18-8-3-4-11-23(18)25/h3-8,11,17H,9-10,12-14H2,1-2H3,(H,21,24)
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| InChIKey |
MARFLGJIKBEUMP-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