General Information of the Compound
| Compound ID |
CP0479356
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| Compound Name |
US9346798, 161
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| Structure |
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| Formula |
C21H24N4O3S2
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| Molecular Weight |
444.582
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| Canonical SMILES |
CN(C)c1c(C)cc(cc1C)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C21H24N4O3S2/c1-14-11-16(12-15(2)20(14)24(3)4)25-8-9-28-19-13-17(5-6-18(19)25)30(26,27)23-21-22-7-10-29-21/h5-7,10-13H,8-9H2,1-4H3,(H,22,23)
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| InChIKey |
DZEKVHJXFVRKTK-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