General Information of the Compound
| Compound ID |
CP0530170
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| Compound Name |
4-[5-chloro-6-[(1-methylcyclopropyl)methoxy]pyridin-3-yl]-2-fluoro-5-methoxy-N-methylsulfonylbenzamide
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| Structure |
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| Formula |
C19H20ClFN2O5S
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| Molecular Weight |
442.896
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| Canonical SMILES |
COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(OCC2(C)CC2)c(Cl)c1
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| InChI |
InChI=1S/C19H20ClFN2O5S/c1-19(4-5-19)10-28-18-14(20)6-11(9-22-18)12-7-15(21)13(8-16(12)27-2)17(24)23-29(3,25)26/h6-9H,4-5,10H2,1-3H3,(H,23,24)
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| InChIKey |
BQKXHBXBKVZFPO-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