General Information of the Compound
| Compound ID |
CP0527320
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| Compound Name |
3-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethynyl]benzoic acid
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| Structure |
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| Formula |
C20H14N2O4S
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| Molecular Weight |
378.409
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| Canonical SMILES |
OC(=O)c1cccc(c1)C#Cc1ccc(cc1)S(=O)(=O)Nc1ccccn1
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| InChI |
InChI=1S/C20H14N2O4S/c23-20(24)17-5-3-4-16(14-17)8-7-15-9-11-18(12-10-15)27(25,26)22-19-6-1-2-13-21-19/h1-6,9-14H,(H,21,22)(H,23,24)
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| InChIKey |
FKSJWWYXAUHHOQ-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