General Information of the Compound
| Compound ID |
CP0478199
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| Compound Name |
US9012443, 512
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| Structure |
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| Formula |
C19H13F3N4O3S2
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| Molecular Weight |
466.466
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| Canonical SMILES |
COc1cc(C(F)F)c(F)cc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C19H13F3N4O3S2/c1-29-16-8-12(18(21)22)14(20)7-13(16)17-11-3-2-10(6-15(11)24-9-25-17)31(27,28)26-19-23-4-5-30-19/h2-9,18H,1H3,(H,23,26)
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| InChIKey |
NIUYDRUKRUUDFV-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