General Information of the Compound
| Compound ID |
CP0374132
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| Compound Name |
2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-pyridin-4-yl)-ethyl]-phenyl}-propan-2-ol
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| Structure |
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| Formula |
C24H23F4NO4
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| Molecular Weight |
465.443
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| Canonical SMILES |
CC(C)(O)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
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| InChI |
InChI=1S/C24H23F4NO4/c1-24(2,30)18-6-3-16(4-7-18)19(13-15-9-11-29(31)12-10-15)17-5-8-20(32-22(25)26)21(14-17)33-23(27)28/h3-12,14,19,22-23,30H,13H2,1-2H3
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| InChIKey |
HNQWLGYYWOXQJT-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