General Information of the Compound
| Compound ID |
CP0460607
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| Compound Name |
4-[5-chloro-6-(3-methylphenyl)sulfanylpyridin-3-yl]-3-methoxy-N-methylsulfonylbenzamide
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| Structure |
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| Formula |
C21H19ClN2O4S2
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| Molecular Weight |
462.98
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| Canonical SMILES |
COc1cc(ccc1-c1cnc(Sc2cccc(C)c2)c(Cl)c1)C(=O)NS(C)(=O)=O
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| InChI |
InChI=1S/C21H19ClN2O4S2/c1-13-5-4-6-16(9-13)29-21-18(22)10-15(12-23-21)17-8-7-14(11-19(17)28-2)20(25)24-30(3,26)27/h4-12H,1-3H3,(H,24,25)
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| InChIKey |
QVFAODGDCYHYFO-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