General Information of the Compound
| Compound ID |
CP0437320
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| Compound Name |
1-(3,4-dichlorophenyl)-3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxymethyl]-5-phenyl-1H-pyrazole
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| Structure |
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| Formula |
C28H25Cl2FN2O3
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| Molecular Weight |
527.423
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| Canonical SMILES |
COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(Cl)c(Cl)c2)c1
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| InChI |
InChI=1S/C28H25Cl2FN2O3/c1-34-28(9-11-35-12-10-28)20-13-21(31)15-24(14-20)36-18-22-16-27(19-5-3-2-4-6-19)33(32-22)23-7-8-25(29)26(30)17-23/h2-8,13-17H,9-12,18H2,1H3
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| InChIKey |
GSMXOCMZRAYWSV-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