General Information of the Compound
| Compound ID |
CP0508344
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| Compound Name |
3-[5-cyano-6-(2-methylpropoxy)pyridin-3-yl]-1-methyl-N-methylsulfonylindole-6-carboxamide
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| Structure |
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| Formula |
C21H22N4O4S
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| Molecular Weight |
426.498
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| Canonical SMILES |
CC(C)COc1ncc(cc1C#N)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
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| InChI |
InChI=1S/C21H22N4O4S/c1-13(2)12-29-21-15(9-22)7-16(10-23-21)18-11-25(3)19-8-14(5-6-17(18)19)20(26)24-30(4,27)28/h5-8,10-11,13H,12H2,1-4H3,(H,24,26)
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| InChIKey |
NSCWVFCGCPIMTE-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