General Information of the Compound
| Compound ID |
CP0537942
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| Compound Name |
3-[5-methoxy-6-(2-methylpropoxy)pyridin-3-yl]-1-methyl-N-methylsulfonylindole-6-carboxamide
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| Structure |
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| Formula |
C21H25N3O5S
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| Molecular Weight |
431.514
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| Canonical SMILES |
COc1cc(cnc1OCC(C)C)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
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| InChI |
InChI=1S/C21H25N3O5S/c1-13(2)12-29-21-19(28-4)9-15(10-22-21)17-11-24(3)18-8-14(6-7-16(17)18)20(25)23-30(5,26)27/h6-11,13H,12H2,1-5H3,(H,23,25)
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| InChIKey |
VDONYMWVAWWVER-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