General Information of the Compound
| Compound ID |
CP0475206
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| Compound Name |
3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxymethyl]-1-(4-methylphenyl)-5-phenyl-1H-pyrazole
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| Structure |
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| Formula |
C29H29FN2O3
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| Molecular Weight |
472.56
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| Canonical SMILES |
COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(C)cc2)c1
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| InChI |
InChI=1S/C29H29FN2O3/c1-21-8-10-26(11-9-21)32-28(22-6-4-3-5-7-22)19-25(31-32)20-35-27-17-23(16-24(30)18-27)29(33-2)12-14-34-15-13-29/h3-11,16-19H,12-15,20H2,1-2H3
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| InChIKey |
CKAGNYHIHXYZET-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