General Information of the Compound
| Compound ID |
CP0037718
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| Compound Name |
1-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-1H-imidazole-2-carbonitrile
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| Structure |
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| Formula |
C17H12FN3O2S
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| Molecular Weight |
341.367
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cnc(C#N)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C17H12FN3O2S/c1-24(22,23)15-8-2-12(3-9-15)16-11-20-17(10-19)21(16)14-6-4-13(18)5-7-14/h2-9,11H,1H3
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| InChIKey |
KOSHEAOLMYRNOG-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