General Information of the Compound
| Compound ID |
CP0253250
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| Compound Name |
5-Fluoro-3-(6-isobutoxypyridin-3-yl)-1-methyl-N-(methylsulfonyl)-1H-indole-6-carboxamide
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| Structure |
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| Formula |
C20H22FN3O4S
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| Molecular Weight |
419.478
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| Canonical SMILES |
CC(C)COc1ccc(cn1)-c1cn(C)c2cc(C(=O)NS(C)(=O)=O)c(F)cc12
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| InChI |
InChI=1S/C20H22FN3O4S/c1-12(2)11-28-19-6-5-13(9-22-19)16-10-24(3)18-8-15(17(21)7-14(16)18)20(25)23-29(4,26)27/h5-10,12H,11H2,1-4H3,(H,23,25)
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| InChIKey |
PLCCMQZNQDPYTG-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
Protein ID: PT02269, Sodium channel protein type 9 subunit alpha