General Information of the Compound
| Compound ID |
CP0467755
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| Compound Name |
2,5-difluoro-4-[3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]morpholin-2-yl]oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C17H15F5N6O4S2
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| Molecular Weight |
526.469
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| Canonical SMILES |
Cn1nc(cc1C1NCCOC1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1)C(F)(F)F
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| InChI |
InChI=1S/C17H15F5N6O4S2/c1-28-10(6-13(26-28)17(20,21)22)14-15(31-3-2-23-14)32-11-4-9(19)12(5-8(11)18)34(29,30)27-16-24-7-25-33-16/h4-7,14-15,23H,2-3H2,1H3,(H,24,25,27)
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| InChIKey |
QYJWFGJRWVGCOV-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