General Information of the Compound
| Compound ID |
CP0536614
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| Compound Name |
4-(2-phenylethynyl)-N-(2-sulfamoylphenyl)sulfonylbenzamide
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| Structure |
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| Formula |
C21H16N2O5S2
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| Molecular Weight |
440.502
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| Canonical SMILES |
NS(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)c1ccc(cc1)C#Cc1ccccc1
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| InChI |
InChI=1S/C21H16N2O5S2/c22-29(25,26)19-8-4-5-9-20(19)30(27,28)23-21(24)18-14-12-17(13-15-18)11-10-16-6-2-1-3-7-16/h1-9,12-15H,(H,23,24)(H2,22,25,26)
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| InChIKey |
WFNZZJNAYSLGAM-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