General Information of the Compound
| Compound ID |
CP0484821
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| Compound Name |
3-[5-chloro-6-(2-hydroxy-2-methylpropoxy)pyridin-3-yl]-1-methyl-N-methylsulfonylindole-6-carboxamide
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| Structure |
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| Formula |
C20H22ClN3O5S
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| Molecular Weight |
451.932
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| Canonical SMILES |
Cn1cc(-c2cnc(OCC(C)(C)O)c(Cl)c2)c2ccc(cc12)C(=O)NS(C)(=O)=O
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| InChI |
InChI=1S/C20H22ClN3O5S/c1-20(2,26)11-29-19-16(21)7-13(9-22-19)15-10-24(3)17-8-12(5-6-14(15)17)18(25)23-30(4,27)28/h5-10,26H,11H2,1-4H3,(H,23,25)
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| InChIKey |
URALEAHLURQUDY-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