General Information of the Compound
| Compound ID |
CP0527452
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| Compound Name |
US8952169, 217
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| Structure |
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| Formula |
C20H24F3NO4S
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| Molecular Weight |
431.476
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| Canonical SMILES |
Fc1cc(OCC2CCC(F)(F)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
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| InChI |
InChI=1S/C20H24F3NO4S/c21-17-10-18(28-11-12-5-7-20(22,23)8-6-12)15(13-1-2-13)9-16(17)19(25)24-29(26,27)14-3-4-14/h9-10,12-14H,1-8,11H2,(H,24,25)
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| InChIKey |
RQJYQECMAVLMJI-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