General Information of the Compound
| Compound ID |
CP0406894
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| Compound Name |
US9346798, 15
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| Structure |
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| Formula |
C19H16ClF3N4O3S
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| Molecular Weight |
472.876
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| Canonical SMILES |
Cn1ccc(NS(=O)(=O)c2ccc3N(CCOc3c2)c2ccc(cc2Cl)C(F)(F)F)n1
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| InChI |
InChI=1S/C19H16ClF3N4O3S/c1-26-7-6-18(24-26)25-31(28,29)13-3-5-16-17(11-13)30-9-8-27(16)15-4-2-12(10-14(15)20)19(21,22)23/h2-7,10-11H,8-9H2,1H3,(H,24,25)
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| InChIKey |
LPKQBMDZULLYLI-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