General Information of the Compound
| Compound ID |
CP0519223
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| Compound Name |
US9346798, 9
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| Structure |
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| Formula |
C19H13Cl2F3N4O3S
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| Molecular Weight |
505.305
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| Canonical SMILES |
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2cc(Cl)ncn2)c(Cl)c1
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| InChI |
InChI=1S/C19H13Cl2F3N4O3S/c20-13-7-11(19(22,23)24)1-3-14(13)28-5-6-31-16-8-12(2-4-15(16)28)32(29,30)27-18-9-17(21)25-10-26-18/h1-4,7-10H,5-6H2,(H,25,26,27)
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| InChIKey |
KONKYTZJYGLHBT-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