General Information of the Compound
| Compound ID |
CP0081108
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| Compound Name |
1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-isoxazolyl-3-oxo-2,3-dihydro-6-isoquinolinesulfonamide
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| Structure |
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| Formula |
C25H17ClFN3O5S
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| Molecular Weight |
525.945
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| Canonical SMILES |
COc1cc(c(Cl)cc1-c1[nH]c(=O)cc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
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| InChI |
InChI=1S/C25H17ClFN3O5S/c1-34-22-13-19(14-3-2-4-16(27)9-14)21(26)12-20(22)25-18-6-5-17(10-15(18)11-24(31)28-25)36(32,33)30-23-7-8-35-29-23/h2-13H,1H3,(H,28,31)(H,29,30)
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| InChIKey |
IJKKZVFOENDHPB-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