General Information of the Compound
| Compound ID |
CP0528187
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| Compound Name |
4-[5-chloro-6-(2-methylpropoxy)pyridin-3-yl]-3-cyano-N-methylsulfonylbenzamide
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| Structure |
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| Formula |
C18H18ClN3O4S
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| Molecular Weight |
407.879
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| Canonical SMILES |
CC(C)COc1ncc(cc1Cl)-c1ccc(cc1C#N)C(=O)NS(C)(=O)=O
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| InChI |
InChI=1S/C18H18ClN3O4S/c1-11(2)10-26-18-16(19)7-14(9-21-18)15-5-4-12(6-13(15)8-20)17(23)22-27(3,24)25/h4-7,9,11H,10H2,1-3H3,(H,22,23)
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| InChIKey |
UPXPCCBYWYCTMT-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