General Information of the Compound
| Compound ID |
CP0531140
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| Compound Name |
US9079902, 11
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| Structure |
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| Formula |
C23H18F3N5O2S2
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| Molecular Weight |
517.558
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| Canonical SMILES |
Cn1nccc1-c1cc(ccc1-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
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| InChI |
InChI=1S/C23H18F3N5O2S2/c1-30-13-19(16-5-3-14(23(24,25)26)11-18(16)20-7-8-28-31(20)2)17-6-4-15(12-21(17)30)35(32,33)29-22-27-9-10-34-22/h3-13H,1-2H3,(H,27,29)
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| InChIKey |
GYNDRZDRTRXCFQ-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