General Information of the Compound
| Compound ID |
CP0051985
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| Compound Name |
4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C19H13ClN6O3S2
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| Molecular Weight |
472.939
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| Canonical SMILES |
Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1nncs1
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| InChI |
InChI=1S/C19H13ClN6O3S2/c1-26-16(6-7-23-26)15-9-13(20)2-4-18(15)29-17-5-3-14(8-12(17)10-21)31(27,28)25-19-24-22-11-30-19/h2-9,11H,1H3,(H,24,25)
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| InChIKey |
LDRZWGWBOYORGD-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