General Information of the Compound
| Compound ID |
CP0904066
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| Compound Name |
4-benzoylphenyl-3,5-dichloro-2-hydroxybenzenesulfonate
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| Structure |
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| Formula |
C19H12Cl2O5S
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| Molecular Weight |
423.273
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| Canonical SMILES |
O=C(c1ccccc1)c1ccc(OS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1
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| InChI |
InChI=1S/C19H12Cl2O5S/c20-14-10-16(21)19(23)17(11-14)27(24,25)26-15-8-6-13(7-9-15)18(22)12-4-2-1-3-5-12/h1-11,23H
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| InChIKey |
JBTYBHPSYUTPGS-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