General Information of the Compound
| Compound ID |
CP0437288
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| Compound Name |
N-(2,6-dichloro-3-methylphenyl)-2-[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]acetamide
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| Structure |
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| Formula |
C19H21Cl2N3O2
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| Molecular Weight |
394.302
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| Canonical SMILES |
Cc1ccc(Cl)c(NC(=O)CN2CCC(CC2)c2cccc[n+]2[O-])c1Cl
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| InChI |
InChI=1S/C19H21Cl2N3O2/c1-13-5-6-15(20)19(18(13)21)22-17(25)12-23-10-7-14(8-11-23)16-4-2-3-9-24(16)26/h2-6,9,14H,7-8,10-12H2,1H3,(H,22,25)
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| InChIKey |
JJCLIJPUGZLKAK-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