General Information of the Compound
| Compound ID |
CP0444574
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| Compound Name |
ethyl 2-[5-(3,4-difluorophenyl)-2-methyl-1-(4-methylsulfonylphenyl)pyrrol-3-yl]acetate
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| Structure |
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| Formula |
C22H21F2NO4S
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| Molecular Weight |
433.476
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| Canonical SMILES |
CCOC(=O)Cc1cc(-c2ccc(F)c(F)c2)n(c1C)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C22H21F2NO4S/c1-4-29-22(26)13-16-12-21(15-5-10-19(23)20(24)11-15)25(14(16)2)17-6-8-18(9-7-17)30(3,27)28/h5-12H,4,13H2,1-3H3
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| InChIKey |
BEWBVGPOPQDTAO-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
Protein ID: PT01898, Prostaglandin G/H synthase 1
Protein ID: PT01062, Prostaglandin G/H synthase 2