General Information of the Compound
| Compound ID |
CP0416407
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| Compound Name |
US8952169, 446
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| Structure |
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| Formula |
C21H25F4NO4S
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| Molecular Weight |
463.493
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| Canonical SMILES |
Fc1cc(OCC2(CCCCC2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
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| InChI |
InChI=1S/C21H25F4NO4S/c22-17-11-18(30-12-20(21(23,24)25)8-2-1-3-9-20)15(13-4-5-13)10-16(17)19(27)26-31(28,29)14-6-7-14/h10-11,13-14H,1-9,12H2,(H,26,27)
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| InChIKey |
GAUCTMQMNSDYNT-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