General Information of the Compound
| Compound ID |
CP0254953
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| Compound Name |
5-chloro-2-fluoro-4-[2-pyridazin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C19H10ClF4N5O3S2
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| Molecular Weight |
531.9
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| Canonical SMILES |
Fc1cc(Oc2ccc(cc2-c2ccnnc2)C(F)(F)F)c(Cl)cc1S(=O)(=O)Nc1nncs1
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| InChI |
InChI=1S/C19H10ClF4N5O3S2/c20-13-6-17(34(30,31)29-18-28-27-9-33-18)14(21)7-16(13)32-15-2-1-11(19(22,23)24)5-12(15)10-3-4-25-26-8-10/h1-9H,(H,28,29)
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| InChIKey |
ZAGGUCLXSCVDCK-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: PT02267, Sodium channel protein type 1 subunit alpha
Protein ID: PT02752, Sodium channel protein type 10 subunit alpha
Protein ID: PT03022, Sodium channel protein type 2 subunit alpha
Protein ID: PT03042, Sodium channel protein type 3 subunit alpha
Protein ID: PT03043, Sodium channel protein type 4 subunit alpha
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT03581, Sodium channel protein type 8 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha
Protein ID: PT04404, Sodium channel protein type 9 subunit alpha