General Information of the Compound
| Compound ID |
CP0487124
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| Compound Name |
4-{2-(3,4-Bis-difluoromethoxy-phenyl)-2-[4-(4-fluoro-phenoxymethyl)-phenyl]-ethyl}-pyridine 1-oxide
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| Structure |
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| Formula |
C28H22F5NO4
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| Molecular Weight |
531.477
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| Canonical SMILES |
[O-][n+]1ccc(CC(c2ccc(COc3ccc(F)cc3)cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1
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| InChI |
InChI=1S/C28H22F5NO4/c29-22-6-8-23(9-7-22)36-17-19-1-3-20(4-2-19)24(15-18-11-13-34(35)14-12-18)21-5-10-25(37-27(30)31)26(16-21)38-28(32)33/h1-14,16,24,27-28H,15,17H2
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| InChIKey |
FEFSLMNTYQAHQW-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