General Information of the Compound
| Compound ID |
CP0449334
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| Compound Name |
ethyl 2-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylsulfonylphenyl)pyrrol-3-yl]-2-oxoacetate
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| Structure |
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| Formula |
C23H23NO6S
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| Molecular Weight |
441.505
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| Canonical SMILES |
CCOC(=O)C(=O)c1cc(-c2ccc(OC)cc2)n(c1C)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H23NO6S/c1-5-30-23(26)22(25)20-14-21(16-6-10-18(29-3)11-7-16)24(15(20)2)17-8-12-19(13-9-17)31(4,27)28/h6-14H,5H2,1-4H3
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| InChIKey |
NIKHJZLUYLYLDM-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