General Information of the Compound
| Compound ID |
CP0481340
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| Compound Name |
4-[benzyl-(3-chloro-5-cyanopyridin-2-yl)sulfamoyl]benzoic acid
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| Structure |
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| Formula |
C20H14ClN3O4S
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| Molecular Weight |
427.869
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ncc(cc1Cl)C#N
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| InChI |
InChI=1S/C20H14ClN3O4S/c21-18-10-15(11-22)12-23-19(18)24(13-14-4-2-1-3-5-14)29(27,28)17-8-6-16(7-9-17)20(25)26/h1-10,12H,13H2,(H,25,26)
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| InChIKey |
XXTHOHPFBLTZIQ-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