General Information of the Compound
| Compound ID |
CP0565257
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| Compound Name |
3-chloro-4-[5-chloro-6-(2-methylpropoxy)pyridin-3-yl]-N-methylsulfonylbenzamide
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| Structure |
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| Formula |
C17H18Cl2N2O4S
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| Molecular Weight |
417.314
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| Canonical SMILES |
CC(C)COc1ncc(cc1Cl)-c1ccc(cc1Cl)C(=O)NS(C)(=O)=O
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| InChI |
InChI=1S/C17H18Cl2N2O4S/c1-10(2)9-25-17-15(19)7-12(8-20-17)13-5-4-11(6-14(13)18)16(22)21-26(3,23)24/h4-8,10H,9H2,1-3H3,(H,21,22)
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| InChIKey |
NNADSLVSDJYYAU-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
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha