General Information of the Compound
| Compound ID |
CP0495245
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| Compound Name |
1-[5-chloro-6-(2-methylpropoxy)pyridin-3-yl]oxy-N-methylsulfonylisoquinoline-6-carboxamide
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| Structure |
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| Formula |
C20H20ClN3O5S
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| Molecular Weight |
449.916
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| Canonical SMILES |
CC(C)COc1ncc(Oc2nccc3cc(ccc23)C(=O)NS(C)(=O)=O)cc1Cl
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| InChI |
InChI=1S/C20H20ClN3O5S/c1-12(2)11-28-20-17(21)9-15(10-23-20)29-19-16-5-4-14(8-13(16)6-7-22-19)18(25)24-30(3,26)27/h4-10,12H,11H2,1-3H3,(H,24,25)
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| InChIKey |
AMKPKSZQHZTGRM-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha