General Information of the Compound
| Compound ID |
CP0445986
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| Compound Name |
N-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C22H23N3O2
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| Molecular Weight |
361.445
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| Canonical SMILES |
[O-][n+]1ccccc1C1CCN(CNC(=O)c2ccc3ccccc3c2)CC1
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| InChI |
InChI=1S/C22H23N3O2/c26-22(20-9-8-17-5-1-2-6-19(17)15-20)23-16-24-13-10-18(11-14-24)21-7-3-4-12-25(21)27/h1-9,12,15,18H,10-11,13-14,16H2,(H,23,26)
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| InChIKey |
XZBORRULSIAHDN-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