General Information of the Compound
| Compound ID |
CP0460250
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| Compound Name |
US8952169, 26
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| Structure |
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| Formula |
C20H26ClFN2O4S
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| Molecular Weight |
444.956
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| Canonical SMILES |
CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F
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| InChI |
InChI=1S/C20H26ClFN2O4S/c1-24(2)29(26,27)23-19(25)15-6-16(21)18(7-17(15)22)28-11-20-8-12-3-13(9-20)5-14(4-12)10-20/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,23,25)
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| InChIKey |
ZGBCYVXZLVHZHE-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