General Information of the Compound
| Compound ID |
CP0524285
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| Compound Name |
US8952169, 233
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| Structure |
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| Formula |
C24H27F4NO4S
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| Molecular Weight |
501.542
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| Canonical SMILES |
Fc1cc(OCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
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| InChI |
InChI=1S/C24H27F4NO4S/c25-18-6-19(16(14-1-2-14)5-17(18)20(30)29-34(31,32)15-3-4-15)33-13-21-7-22(26)10-23(27,8-21)12-24(28,9-21)11-22/h5-6,14-15H,1-4,7-13H2,(H,29,30)
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| InChIKey |
IFRGFTQIIMWCJG-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