General Information of the Compound
| Compound ID |
CP0476326
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| Compound Name |
3-[4-[5-chloro-6-(2-methylpropoxy)pyridin-3-yl]-2,5-difluorophenyl]-N-cyclopropyl-1H-1,2,4-triazole-5-sulfonamide
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| Structure |
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| Formula |
C20H20ClF2N5O3S
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| Molecular Weight |
483.928
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| Canonical SMILES |
CC(C)COc1ncc(cc1Cl)-c1cc(F)c(cc1F)-c1nnc([nH]1)S(=O)(=O)NC1CC1
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| InChI |
InChI=1S/C20H20ClF2N5O3S/c1-10(2)9-31-19-15(21)5-11(8-24-19)13-6-17(23)14(7-16(13)22)18-25-20(27-26-18)32(29,30)28-12-3-4-12/h5-8,10,12,28H,3-4,9H2,1-2H3,(H,25,26,27)
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| InChIKey |
HKTBYIOKLBPJIO-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