General Information of the Compound
| Compound ID |
CP0385167
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| Compound Name |
US8952169, 219
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| Structure |
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| Formula |
C24H28F4N2O4S
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| Molecular Weight |
516.557
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| Canonical SMILES |
Fc1cc(OCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
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| InChI |
InChI=1S/C24H28F4N2O4S/c25-18-7-19(34-14-21-8-22(26)11-23(27,9-21)13-24(28,10-21)12-22)16(15-2-3-15)6-17(18)20(31)29-35(32,33)30-4-1-5-30/h6-7,15H,1-5,8-14H2,(H,29,31)
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| InChIKey |
LXEBABFPSLDVID-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