General Information of the Compound
| Compound ID |
CP0478286
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| Compound Name |
US9346798, 2
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| Structure |
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| Formula |
C17H12ClF3N4O3S2
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| Molecular Weight |
476.889
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| Canonical SMILES |
FC(F)(F)c1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)c(Cl)c1
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| InChI |
InChI=1S/C17H12ClF3N4O3S2/c18-12-7-10(17(19,20)21)1-3-13(12)25-5-6-28-15-8-11(2-4-14(15)25)30(26,27)24-16-22-9-23-29-16/h1-4,7-9H,5-6H2,(H,22,23,24)
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| InChIKey |
QNGMWIGUDUIKOI-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