General Information of the Compound
| Compound ID |
CP0420498
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| Compound Name |
3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxymethyl]-1,5-diphenyl-1H-pyrazole
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| Structure |
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| Formula |
C28H27FN2O3
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| Molecular Weight |
458.533
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| Canonical SMILES |
COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccccc2)c1
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| InChI |
InChI=1S/C28H27FN2O3/c1-32-28(12-14-33-15-13-28)22-16-23(29)18-26(17-22)34-20-24-19-27(21-8-4-2-5-9-21)31(30-24)25-10-6-3-7-11-25/h2-11,16-19H,12-15,20H2,1H3
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| InChIKey |
KJSXZRPNUTVPIS-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