General Information of the Compound
| Compound ID |
CP0086852
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| Compound Name |
4-[[(3S,4R)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide
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| Structure |
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| Formula |
C22H21ClF2N4O3S
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| Molecular Weight |
494.951
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| Canonical SMILES |
Fc1cc(c(F)cc1OC[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncccn1
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| InChI |
InChI=1S/C22H21ClF2N4O3S/c23-16-4-2-14(3-5-16)17-6-9-26-12-15(17)13-32-20-10-19(25)21(11-18(20)24)33(30,31)29-22-27-7-1-8-28-22/h1-5,7-8,10-11,15,17,26H,6,9,12-13H2,(H,27,28,29)/t15-,17-/m0/s1
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| InChIKey |
GUJMFDUXYXYBIE-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