General Information of the Compound
| Compound ID |
CP0169863
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| Compound Name |
5-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2-fluoro-N-(5-fluoropyridin-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C21H14Cl2F2N4O3S
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| Molecular Weight |
511.337
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| Canonical SMILES |
Cn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccc(F)cn1
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| InChI |
InChI=1S/C21H14Cl2F2N4O3S/c1-29-17(6-7-27-29)14-8-12(22)2-4-18(14)32-19-10-16(25)20(9-15(19)23)33(30,31)28-21-5-3-13(24)11-26-21/h2-11H,1H3,(H,26,28)
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| InChIKey |
PUINHTIQEGQFLQ-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