General Information of the Compound
| Compound ID |
CP0543447
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| Compound Name |
US9546164, 74
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| Structure |
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| Formula |
C22H25FN2O4S
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| Molecular Weight |
432.517
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| Canonical SMILES |
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(Cc3ccccc3)C2)cc1F
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| InChI |
InChI=1S/C22H25FN2O4S/c1-30(27,28)24-22(26)19-9-18(17-7-8-17)21(10-20(19)23)29-14-16-12-25(13-16)11-15-5-3-2-4-6-15/h2-6,9-10,16-17H,7-8,11-14H2,1H3,(H,24,26)
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| InChIKey |
NXSUVSBDUZCGLP-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