General Information of the Compound
| Compound ID |
CP0052826
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| Compound Name |
4-[[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]methoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C21H20ClF2N3O3S2
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| Molecular Weight |
499.992
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| Canonical SMILES |
Fc1cc(c(F)cc1OC[C@@H]1CCCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C21H20ClF2N3O3S2/c22-15-7-5-13(6-8-15)16-4-2-1-3-14(16)11-30-19-9-18(24)20(10-17(19)23)32(28,29)27-21-25-12-26-31-21/h5-10,12,14,16H,1-4,11H2,(H,25,26,27)/t14-,16-/m0/s1
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| InChIKey |
GTYPKNOGSILUOP-HOCLYGCPSA-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