General Information of the Compound
| Compound ID |
CP0470503
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| Compound Name |
[4-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]phenyl]methanol
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| Structure |
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| Formula |
C22H19F4NO4
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| Molecular Weight |
437.389
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| Canonical SMILES |
OCc1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
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| InChI |
InChI=1S/C22H19F4NO4/c23-21(24)30-19-6-5-17(12-20(19)31-22(25)26)18(11-14-7-9-27(29)10-8-14)16-3-1-15(13-28)2-4-16/h1-10,12,18,21-22,28H,11,13H2
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| InChIKey |
XGBRBTLQKWWZHQ-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