General Information of the Compound
| Compound ID |
CP0534976
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| Compound Name |
US9546164, 139
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| Structure |
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| Formula |
C24H27Cl2FN2O4S
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| Molecular Weight |
529.461
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| Canonical SMILES |
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F
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| InChI |
InChI=1S/C24H27Cl2FN2O4S/c1-34(31,32)28-24(30)21-11-20(17-2-3-17)23(12-22(21)27)33-14-15-4-6-29(7-5-15)13-16-8-18(25)10-19(26)9-16/h8-12,15,17H,2-7,13-14H2,1H3,(H,28,30)
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| InChIKey |
YKHDDBRKQAIROO-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: PT05769, Sodium channel protein type 7 subunit alpha