General Information of the Compound
| Compound ID |
CP0496387
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| Compound Name |
1-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-pyridin-4-yl)-ethyl]-phenyl}-ethanol
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| Structure |
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| Formula |
C23H21F4NO4
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| Molecular Weight |
451.416
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| Canonical SMILES |
CC(O)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
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| InChI |
InChI=1S/C23H21F4NO4/c1-14(29)16-2-4-17(5-3-16)19(12-15-8-10-28(30)11-9-15)18-6-7-20(31-22(24)25)21(13-18)32-23(26)27/h2-11,13-14,19,22-23,29H,12H2,1H3
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| InChIKey |
TVDZDDMXQYLRJJ-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