General Information of the Compound
| Compound ID |
CP0448332
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| Compound Name |
1-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-1H-imidazole-2-carboxylic acid methyl ester
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| Structure |
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| Formula |
C18H15FN2O4S
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| Molecular Weight |
374.393
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| Canonical SMILES |
COC(=O)c1ncc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C18H15FN2O4S/c1-25-18(22)17-20-11-16(21(17)14-7-5-13(19)6-8-14)12-3-9-15(10-4-12)26(2,23)24/h3-11H,1-2H3
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| InChIKey |
GXXWWKMFFANZEK-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: PT00940, Prostaglandin G/H synthase 1
Protein ID: PT00901, Prostaglandin G/H synthase 2