General Information of the Compound
| Compound ID |
CP0426988
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| Compound Name |
ethyl 2-[2-methyl-1-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoacetate
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| Structure |
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| Formula |
C23H20F3NO5S
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| Molecular Weight |
479.476
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| Canonical SMILES |
CCOC(=O)C(=O)c1cc(-c2ccc(cc2)C(F)(F)F)n(c1C)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H20F3NO5S/c1-4-32-22(29)21(28)19-13-20(15-5-7-16(8-6-15)23(24,25)26)27(14(19)2)17-9-11-18(12-10-17)33(3,30)31/h5-13H,4H2,1-3H3
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| InChIKey |
UGLGEDIICPRJSU-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