General Information of the Compound
| Compound ID |
CP0434154
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| Compound Name |
2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[3,4-(difluoro)phenyl]-1H-pyrrol-3-acetic acid
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| Structure |
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| Formula |
C20H17F2NO4S
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| Molecular Weight |
405.422
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| Canonical SMILES |
Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C20H17F2NO4S/c1-12-14(10-20(24)25)9-19(13-3-6-16(7-4-13)28(2,26)27)23(12)15-5-8-17(21)18(22)11-15/h3-9,11H,10H2,1-2H3,(H,24,25)
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| InChIKey |
LJDGSNSMSUKBRC-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