General Information of the Compound
| Compound ID |
CP0402668
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| Compound Name |
US9346798, 4
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| Structure |
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| Formula |
C20H15F3N6O3S2
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| Molecular Weight |
508.507
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| Canonical SMILES |
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(c1)-c1cn[nH]c1
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| InChI |
InChI=1S/C20H15F3N6O3S2/c21-20(22,23)13-1-3-16(15(7-13)12-9-25-26-10-12)29-5-6-32-18-8-14(2-4-17(18)29)34(30,31)28-19-24-11-27-33-19/h1-4,7-11H,5-6H2,(H,25,26)(H,24,27,28)
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| InChIKey |
ISRFCSFRFHSLEY-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