General Information of the Compound
| Compound ID |
CP0490222
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| Compound Name |
US9346798, 121
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| Structure |
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| Formula |
C16H12Cl2N4O3S2
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| Molecular Weight |
443.337
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| Canonical SMILES |
Clc1cnc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(Cl)c1
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| InChI |
InChI=1S/C16H12Cl2N4O3S2/c17-10-7-12(18)15(20-9-10)22-4-5-25-14-8-11(1-2-13(14)22)27(23,24)21-16-19-3-6-26-16/h1-3,6-9H,4-5H2,(H,19,21)
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| InChIKey |
XJJAFLCLPIFLGE-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