General Information of the Compound
| Compound ID |
CP0471061
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| Compound Name |
2-[2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfonylphenoxy]benzoic acid
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| Structure |
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| Formula |
C20H16ClNO7S2
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| Molecular Weight |
481.935
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| Canonical SMILES |
CS(=O)(=O)c1ccc(Oc2ccccc2C(O)=O)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C20H16ClNO7S2/c1-30(25,26)15-10-11-19(29-18-5-3-2-4-16(18)20(23)24)17(12-15)22-31(27,28)14-8-6-13(21)7-9-14/h2-12,22H,1H3,(H,23,24)
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| InChIKey |
QQZUXEFFGUVVJG-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