General Information of the Compound
| Compound ID |
CP0123272
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| Compound Name |
4-[[(3S,4R)-4-(4-chlorophenyl)-1-(2-fluoroethyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C22H22ClF3N4O3S2
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| Molecular Weight |
547.024
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| Canonical SMILES |
FCCN1CC[C@H]([C@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)C1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H22ClF3N4O3S2/c23-16-3-1-14(2-4-16)17-5-7-30(8-6-24)11-15(17)12-33-20-9-19(26)21(10-18(20)25)35(31,32)29-22-27-13-28-34-22/h1-4,9-10,13,15,17H,5-8,11-12H2,(H,27,28,29)/t15-,17-/m0/s1
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| InChIKey |
LXZJEDQMTJCHFZ-RDJZCZTQSA-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