General Information of the Compound
| Compound ID |
CP0483853
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| Compound Name |
US9012443, 398
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| Structure |
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| Formula |
C20H13FN4O3S2
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| Molecular Weight |
440.481
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| Canonical SMILES |
Fc1cnc(-c2ccccc2OCC#N)c2ccc(cc12)S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C20H13FN4O3S2/c21-17-12-24-19(15-3-1-2-4-18(15)28-9-7-22)14-6-5-13(11-16(14)17)30(26,27)25-20-23-8-10-29-20/h1-6,8,10-12H,9H2,(H,23,25)
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| InChIKey |
DWRHYMPADNTUIM-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