General Information of the Compound
| Compound ID |
CP0463632
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| Compound Name |
3-(4-Ethanesulfonyl-phenyl)-2-(4-fluoro-phenyl)-thiophene
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| Structure |
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| Formula |
C18H15FO2S2
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| Molecular Weight |
346.448
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(cc1)-c1ccsc1-c1ccc(F)cc1
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| InChI |
InChI=1S/C18H15FO2S2/c1-2-23(20,21)16-9-5-13(6-10-16)17-11-12-22-18(17)14-3-7-15(19)8-4-14/h3-12H,2H2,1H3
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| InChIKey |
OGHHGUOQXRJFGQ-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