General Information of the Compound
| Compound ID |
CP0429143
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| Compound Name |
US9012443, 392
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| Structure |
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| Formula |
C19H12F4N4O3S2
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| Molecular Weight |
484.456
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| Canonical SMILES |
COc1cc(ccc1-c1ncc(F)c2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
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| InChI |
InChI=1S/C19H12F4N4O3S2/c1-30-16-6-10(19(21,22)23)2-4-13(16)17-12-5-3-11(7-14(12)15(20)8-24-17)32(28,29)27-18-25-9-26-31-18/h2-9H,1H3,(H,25,26,27)
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| InChIKey |
RIJMZEVGOXDRBY-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