General Information of the Compound
| Compound ID |
CP0450578
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| Compound Name |
US9346798, 204
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| Structure |
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| Formula |
C20H18F3N3O5S2
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| Molecular Weight |
501.508
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| Canonical SMILES |
OCC(O)c1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
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| InChI |
InChI=1S/C20H18F3N3O5S2/c21-20(22,23)12-1-3-15(14(9-12)17(28)11-27)26-6-7-31-18-10-13(2-4-16(18)26)33(29,30)25-19-24-5-8-32-19/h1-5,8-10,17,27-28H,6-7,11H2,(H,24,25)
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| InChIKey |
KBOLMQHKSVRFIL-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