General Information of the Compound
| Compound ID |
CP0437318
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| Compound Name |
1-(4-methanesulfonylphenyl)-3-[(3,4-dimethoxy)phenoxymethyl]-5-phenyl-1H-pyrazole
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| Structure |
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| Formula |
C25H24N2O5S
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| Molecular Weight |
464.543
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| Canonical SMILES |
COc1ccc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)cc1OC
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| InChI |
InChI=1S/C25H24N2O5S/c1-30-24-14-11-21(16-25(24)31-2)32-17-19-15-23(18-7-5-4-6-8-18)27(26-19)20-9-12-22(13-10-20)33(3,28)29/h4-16H,17H2,1-3H3
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| InChIKey |
JRCSJLWBWPGQBW-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