General Information of the Compound
| Compound ID |
CP0133044
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| Compound Name |
4-[2-(3H-benzimidazol-5-yl)-4-chlorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C21H12ClF2N5O3S2
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| Molecular Weight |
519.942
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| Canonical SMILES |
Fc1cc(c(F)cc1Oc1ccc(Cl)cc1-c1ccc2[nH]cnc2c1)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C21H12ClF2N5O3S2/c22-12-2-4-18(13(6-12)11-1-3-16-17(5-11)26-9-25-16)32-19-7-15(24)20(8-14(19)23)34(30,31)29-21-27-10-28-33-21/h1-10H,(H,25,26)(H,27,28,29)
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| InChIKey |
DBAHAVPSLKLLAA-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