General Information of the Compound
| Compound ID |
CP0531141
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| Compound Name |
US9051311, 2
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| Structure |
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| Formula |
C23H20F3N5O2S2
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| Molecular Weight |
519.574
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| Canonical SMILES |
Cn1nccc1-c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
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| InChI |
InChI=1S/C23H20F3N5O2S2/c1-30-21(7-9-28-30)20-13-16(23(24,25)26)5-6-19(20)18-4-2-3-15-14-31(11-8-17(15)18)35(32,33)29-22-27-10-12-34-22/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,27,29)
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| InChIKey |
NORLXSKHKCEGDU-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