General Information of the Compound
| Compound ID |
CP0398517
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| Compound Name |
3-(2-ethoxyethyl)-1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrole
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| Structure |
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| Formula |
C22H24FNO3S
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| Molecular Weight |
401.503
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| Canonical SMILES |
CCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H24FNO3S/c1-4-27-14-13-18-15-22(17-5-11-21(12-6-17)28(3,25)26)24(16(18)2)20-9-7-19(23)8-10-20/h5-12,15H,4,13-14H2,1-3H3
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| InChIKey |
DXYIALDWAIZLFY-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