General Information of the Compound
| Compound ID |
CP0404713
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| Compound Name |
2-[2-methyl-5-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]acetic acid
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| Structure |
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| Formula |
C21H18F3NO4S
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| Molecular Weight |
437.439
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| Canonical SMILES |
Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C21H18F3NO4S/c1-13-15(12-20(26)27)11-19(14-3-9-18(10-4-14)30(2,28)29)25(13)17-7-5-16(6-8-17)21(22,23)24/h3-11H,12H2,1-2H3,(H,26,27)
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| InChIKey |
ZCWAZNWWNGEPCM-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