General Information of the Compound
| Compound ID |
CP0520488
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| Compound Name |
US9346798, 60
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| Structure |
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| Formula |
C20H15BrF3N3O3S
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| Molecular Weight |
514.323
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| Canonical SMILES |
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ccccn2)c(Br)c1
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| InChI |
InChI=1S/C20H15BrF3N3O3S/c21-15-11-13(20(22,23)24)4-6-16(15)27-9-10-30-18-12-14(5-7-17(18)27)31(28,29)26-19-3-1-2-8-25-19/h1-8,11-12H,9-10H2,(H,25,26)
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| InChIKey |
QSQYNDMXCIJFJF-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