General Information of the Compound
| Compound ID |
CP0445987
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| Compound Name |
2-[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]-N-(3-phenylphenyl)acetamide
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| Structure |
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| Formula |
C24H25N3O2
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| Molecular Weight |
387.483
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| Canonical SMILES |
[O-][n+]1ccccc1C1CCN(CC(=O)Nc2cccc(c2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C24H25N3O2/c28-24(25-22-10-6-9-21(17-22)19-7-2-1-3-8-19)18-26-15-12-20(13-16-26)23-11-4-5-14-27(23)29/h1-11,14,17,20H,12-13,15-16,18H2,(H,25,28)
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| InChIKey |
KOXLFTJDAMGBMD-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