General Information of the Compound
| Compound ID |
CP0412634
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| Compound Name |
US9346798, 91
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| Structure |
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| Formula |
C19H13F3N4O4S
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| Molecular Weight |
450.398
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| Canonical SMILES |
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ccno2)c(c1)C#N
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| InChI |
InChI=1S/C19H13F3N4O4S/c20-19(21,22)13-1-3-15(12(9-13)11-23)26-7-8-29-17-10-14(2-4-16(17)26)31(27,28)25-18-5-6-24-30-18/h1-6,9-10,25H,7-8H2
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| InChIKey |
GKJKGUWIBBQFQM-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