General Information of the Compound
| Compound ID |
CP0086715
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| Compound Name |
2,5-difluoro-4-[[3-fluoro-4-(4-fluorophenyl)piperidin-3-yl]methoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C20H18F4N4O3S2
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| Molecular Weight |
502.515
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| Canonical SMILES |
Fc1ccc(cc1)C1CCNCC1(F)COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C20H18F4N4O3S2/c21-13-3-1-12(2-4-13)14-5-6-25-9-20(14,24)10-31-17-7-16(23)18(8-15(17)22)33(29,30)28-19-26-11-27-32-19/h1-4,7-8,11,14,25H,5-6,9-10H2,(H,26,27,28)
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| InChIKey |
YKHBPEAAJKQFPN-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