General Information of the Compound
| Compound ID |
CP0052833
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| Compound Name |
2,5-difluoro-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C20H20F2N4O3S2
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| Molecular Weight |
466.535
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| Canonical SMILES |
Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccccc1)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C20H20F2N4O3S2/c21-16-9-19(31(27,28)26-20-24-12-25-30-20)17(22)8-18(16)29-11-14-10-23-7-6-15(14)13-4-2-1-3-5-13/h1-5,8-9,12,14-15,23H,6-7,10-11H2,(H,24,25,26)/t14-,15-/m0/s1
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| InChIKey |
WNPQUCQKSFDNDS-GJZGRUSLSA-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