General Information of the Compound
| Compound ID |
CP0495039
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| Compound Name |
US9012443, 511
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| Structure |
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| Formula |
C20H15F3N4O4S2
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| Molecular Weight |
496.492
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| Canonical SMILES |
COc1nc(-c2ccc(cc2OC)C(F)(F)F)c2ccc(cc2n1)S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C20H15F3N4O4S2/c1-30-16-9-11(20(21,22)23)3-5-14(16)17-13-6-4-12(10-15(13)25-18(26-17)31-2)33(28,29)27-19-24-7-8-32-19/h3-10H,1-2H3,(H,24,27)
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| InChIKey |
CYRSIDVMHHGDIU-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