General Information of the Compound
| Compound ID |
CP0501029
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| Compound Name |
US8952169, 92
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| Structure |
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| Formula |
C20H24ClF3N2O4S
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| Molecular Weight |
480.936
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| Canonical SMILES |
CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(C2)C(F)(F)C(C4)C3)cc1F
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| InChI |
InChI=1S/C20H24ClF3N2O4S/c1-26(2)31(28,29)25-18(27)14-5-15(21)17(6-16(14)22)30-10-19-7-11-3-12(8-19)20(23,24)13(4-11)9-19/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,25,27)
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| InChIKey |
AIZHFCJMCXBSRJ-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