General Information of the Compound
| Compound ID |
CP0405373
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| Compound Name |
ethyl 2-[5-(3,4-difluorophenyl)-2-methyl-1-(4-methylsulfonylphenyl)pyrrol-3-yl]-2-oxoacetate
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| Structure |
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| Formula |
C22H19F2NO5S
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| Molecular Weight |
447.459
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| Canonical SMILES |
CCOC(=O)C(=O)c1cc(-c2ccc(F)c(F)c2)n(c1C)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C22H19F2NO5S/c1-4-30-22(27)21(26)17-12-20(14-5-10-18(23)19(24)11-14)25(13(17)2)15-6-8-16(9-7-15)31(3,28)29/h5-12H,4H2,1-3H3
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| InChIKey |
BXTJBDFTOZHBBP-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