General Information of the Compound
| Compound ID |
CP0448829
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| Compound Name |
4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-pyridin-4-yl)-ethyl]-benzoic acid
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| Structure |
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| Formula |
C22H17F4NO5
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| Molecular Weight |
451.372
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
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| InChI |
InChI=1S/C22H17F4NO5/c23-21(24)31-18-6-5-16(12-19(18)32-22(25)26)17(11-13-7-9-27(30)10-8-13)14-1-3-15(4-2-14)20(28)29/h1-10,12,17,21-22H,11H2,(H,28,29)
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| InChIKey |
DHYURGXXTBBTRE-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