General Information of the Compound
| Compound ID |
CP0533488
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| Compound Name |
3-(5-Chloro-6-isobutoxypyridin-3-yl)-N-(cyclopropylsulfonyl)-5-fluoro-1-methyl-1H-indole-6-carboxamide
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| Structure |
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| Formula |
C22H23ClFN3O4S
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| Molecular Weight |
479.961
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| Canonical SMILES |
CC(C)COc1ncc(cc1Cl)-c1cn(C)c2cc(C(=O)NS(=O)(=O)C3CC3)c(F)cc12
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| InChI |
InChI=1S/C22H23ClFN3O4S/c1-12(2)11-31-22-18(23)6-13(9-25-22)17-10-27(3)20-8-16(19(24)7-15(17)20)21(28)26-32(29,30)14-4-5-14/h6-10,12,14H,4-5,11H2,1-3H3,(H,26,28)
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| InChIKey |
RUOURBQWRICTBV-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