General Information of the Compound
| Compound ID |
CP0430199
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| Compound Name |
4-[5-chloro-6-(2-methylpropoxy)pyridin-3-yl]-3-(2,5-dihydrofuran-3-yl)-N-methylsulfonylbenzamide
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| Structure |
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| Formula |
C21H23ClN2O5S
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| Molecular Weight |
450.944
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| Canonical SMILES |
CC(C)COc1ncc(cc1Cl)-c1ccc(cc1C1=CCOC1)C(=O)NS(C)(=O)=O
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| InChI |
InChI=1S/C21H23ClN2O5S/c1-13(2)11-29-21-19(22)9-16(10-23-21)17-5-4-14(20(25)24-30(3,26)27)8-18(17)15-6-7-28-12-15/h4-6,8-10,13H,7,11-12H2,1-3H3,(H,24,25)
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| InChIKey |
PGJCCDDVYSTICD-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