General Information of the Compound
| Compound ID |
CP0235883
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| Compound Name |
4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C18H11ClN6O3S2
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| Molecular Weight |
458.912
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| Canonical SMILES |
Clc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccn[nH]1
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| InChI |
InChI=1S/C18H11ClN6O3S2/c19-12-1-3-17(14(8-12)15-5-6-22-24-15)28-16-4-2-13(7-11(16)9-20)30(26,27)25-18-21-10-23-29-18/h1-8,10H,(H,22,24)(H,21,23,25)
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| InChIKey |
HWZRSTGNKARGTN-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