General Information of the Compound
| Compound ID |
CP0529372
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| Compound Name |
3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxymethyl]-1-(3,4-dimethylphenyl)-5-phenyl-1H-pyrazole
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| Structure |
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| Formula |
C30H31FN2O3
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| Molecular Weight |
486.587
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| Canonical SMILES |
COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(C)c(C)c2)c1
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| InChI |
InChI=1S/C30H31FN2O3/c1-21-9-10-27(15-22(21)2)33-29(23-7-5-4-6-8-23)19-26(32-33)20-36-28-17-24(16-25(31)18-28)30(34-3)11-13-35-14-12-30/h4-10,15-19H,11-14,20H2,1-3H3
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| InChIKey |
ZLVGYQMTSKBKPJ-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