General Information of the Compound
| Compound ID |
CP0532130
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| Compound Name |
4-[[2-(4-methylphenyl)sulfonyloxyacetyl]amino]benzoic acid
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| Structure |
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| Formula |
C16H15NO6S
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| Molecular Weight |
349.364
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C16H15NO6S/c1-11-2-8-14(9-3-11)24(21,22)23-10-15(18)17-13-6-4-12(5-7-13)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
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| InChIKey |
VFXZKUBIEUPBQV-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