General Information of the Compound
| Compound ID |
CP0442718
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| Compound Name |
N-(2-methyl-5-nitrophenyl)-2-[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]acetamide
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| Structure |
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| Formula |
C19H22N4O4
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| Molecular Weight |
370.409
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)CN1CCC(CC1)c1cccc[n+]1[O-])[N+]([O-])=O
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| InChI |
InChI=1S/C19H22N4O4/c1-14-5-6-16(23(26)27)12-17(14)20-19(24)13-21-10-7-15(8-11-21)18-4-2-3-9-22(18)25/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,20,24)
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| InChIKey |
KIGOSDKCDOQDSJ-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