General Information of the Compound
| Compound ID |
CP0429727
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| Compound Name |
US9051311, 37
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| Structure |
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| Formula |
C22H17F4N5O2S2
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| Molecular Weight |
523.537
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| Canonical SMILES |
Fc1cnc(NS(=O)(=O)N2CCc3c(C2)cccc3-c2ccc(cc2-n2ccnc2)C(F)(F)F)s1
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| InChI |
InChI=1S/C22H17F4N5O2S2/c23-20-11-28-21(34-20)29-35(32,33)31-8-6-16-14(12-31)2-1-3-17(16)18-5-4-15(22(24,25)26)10-19(18)30-9-7-27-13-30/h1-5,7,9-11,13H,6,8,12H2,(H,28,29)
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| InChIKey |
NPFHACFATXIJEM-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