General Information of the Compound
| Compound ID |
CP0416952
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| Compound Name |
1-(5-fluoro-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyphenyl)-N-3-isoxazolyl-6-isoquinolinesulfonamide
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| Structure |
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| Formula |
C25H18F2N4O5S
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| Molecular Weight |
524.505
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| Canonical SMILES |
COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cc(F)cnc1OC
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| InChI |
InChI=1S/C25H18F2N4O5S/c1-34-22-12-18(19-10-15(26)13-29-25(19)35-2)21(27)11-20(22)24-17-4-3-16(9-14(17)5-7-28-24)37(32,33)31-23-6-8-36-30-23/h3-13H,1-2H3,(H,30,31)
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| InChIKey |
SWKNAMZCGMPKQA-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