General Information of the Compound
| Compound ID |
CP0422269
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| Compound Name |
5-(4-Fluoro-phenyl)-4-(4-sulfamoyl-phenyl)-thiophene-2-carboxylic acid methyl ester
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| Structure |
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| Formula |
C18H14FNO4S2
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| Molecular Weight |
391.445
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| Canonical SMILES |
COC(=O)c1cc(c(s1)-c1ccc(F)cc1)-c1ccc(cc1)S(N)(=O)=O
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| InChI |
InChI=1S/C18H14FNO4S2/c1-24-18(21)16-10-15(11-4-8-14(9-5-11)26(20,22)23)17(25-16)12-2-6-13(19)7-3-12/h2-10H,1H3,(H2,20,22,23)
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| InChIKey |
HCFVSOWMOSKBIS-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