General Information of the Compound
| Compound ID |
CP0417911
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| Compound Name |
butyl 2-[1-(3,4-difluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]acetate
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| Structure |
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| Formula |
C24H25F2NO4S
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| Molecular Weight |
461.53
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| Canonical SMILES |
CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C24H25F2NO4S/c1-4-5-12-31-24(28)14-18-13-23(17-6-9-20(10-7-17)32(3,29)30)27(16(18)2)19-8-11-21(25)22(26)15-19/h6-11,13,15H,4-5,12,14H2,1-3H3
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| InChIKey |
DGMUMHVDDMYXBQ-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