General Information of the Compound
| Compound ID |
CP0323374
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| Compound Name |
4-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-isoxazolyl-2-methyl-3-oxo-2,3-dihydro-7-isoquinolinesulfonamide
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| Structure |
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| Formula |
C26H19ClFN3O5S
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| Molecular Weight |
539.972
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| Canonical SMILES |
COc1cc(c(Cl)cc1-c1c2ccc(cc2cn(C)c1=O)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
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| InChI |
InChI=1S/C26H19ClFN3O5S/c1-31-14-16-11-18(37(33,34)30-24-8-9-36-29-24)6-7-19(16)25(26(31)32)21-12-22(27)20(13-23(21)35-2)15-4-3-5-17(28)10-15/h3-14H,1-2H3,(H,29,30)
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| InChIKey |
ZJPDCEDFHMZLTN-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