General Information of the Compound
| Compound ID |
CP0530195
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| Compound Name |
2-[4-methoxy-3-[2-[(4-methylphenyl)sulfonylamino]benzoyl]phenyl]acetic acid
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| Structure |
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| Formula |
C23H21NO6S
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| Molecular Weight |
439.489
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| Canonical SMILES |
COc1ccc(CC(O)=O)cc1C(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C23H21NO6S/c1-15-7-10-17(11-8-15)31(28,29)24-20-6-4-3-5-18(20)23(27)19-13-16(14-22(25)26)9-12-21(19)30-2/h3-13,24H,14H2,1-2H3,(H,25,26)
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| InChIKey |
MLAJCQYUIRABMM-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