General Information of the Compound
| Compound ID |
CP0465452
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| Compound Name |
ethyl 2-[2-methyl-5-(4-methylphenyl)-1-(4-methylsulfonylphenyl)pyrrol-3-yl]acetate
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| Structure |
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| Formula |
C23H25NO4S
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| Molecular Weight |
411.523
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| Canonical SMILES |
CCOC(=O)Cc1cc(-c2ccc(C)cc2)n(c1C)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H25NO4S/c1-5-28-23(25)15-19-14-22(18-8-6-16(2)7-9-18)24(17(19)3)20-10-12-21(13-11-20)29(4,26)27/h6-14H,5,15H2,1-4H3
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| InChIKey |
IOSTYVIIFNMVHX-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