General Information of the Compound
| Compound ID |
CP0126401
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| Compound Name |
1-(4'-chloro-2-fluoro-5-methoxy-3'-methyl-4-biphenylyl)-N-3-isoxazolyl-6-isoquinolinesulfonamide
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| Structure |
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| Formula |
C26H19ClFN3O4S
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| Molecular Weight |
523.973
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| Canonical SMILES |
COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1ccc(Cl)c(C)c1
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| InChI |
InChI=1S/C26H19ClFN3O4S/c1-15-11-16(3-6-22(15)27)20-14-24(34-2)21(13-23(20)28)26-19-5-4-18(12-17(19)7-9-29-26)36(32,33)31-25-8-10-35-30-25/h3-14H,1-2H3,(H,30,31)
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| InChIKey |
MZCDRAVLFTZKGK-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