General Information of the Compound
| Compound ID |
CP0091942
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| Compound Name |
4-(2-cyclopropylethynyl)-3-methoxy-N-(2-sulfamoylphenyl)sulfonylbenzamide
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| Structure |
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| Formula |
C19H18N2O6S2
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| Molecular Weight |
434.495
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| Canonical SMILES |
COc1cc(ccc1C#CC1CC1)C(=O)NS(=O)(=O)c1ccccc1S(N)(=O)=O
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| InChI |
InChI=1S/C19H18N2O6S2/c1-27-16-12-15(11-10-14(16)9-8-13-6-7-13)19(22)21-29(25,26)18-5-3-2-4-17(18)28(20,23)24/h2-5,10-13H,6-7H2,1H3,(H,21,22)(H2,20,23,24)
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| InChIKey |
KFWMCPHFJZDJRJ-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