General Information of the Compound
| Compound ID |
CP0555046
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| Compound Name |
2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(3-hydroxymethyl-1-oxy-pyridin-4-yl)-ethyl]-phenyl}-1,1,1,3,3,3-hexafluoro-propan-2-ol
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| Structure |
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| Formula |
C25H19F10NO5
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| Molecular Weight |
603.409
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| Canonical SMILES |
OCc1c[n+]([O-])ccc1CC(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccc(OC(F)F)c(OC(F)F)c1
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| InChI |
InChI=1S/C25H19F10NO5/c26-21(27)40-19-6-3-15(10-20(19)41-22(28)29)18(9-14-7-8-36(39)11-16(14)12-37)13-1-4-17(5-2-13)23(38,24(30,31)32)25(33,34)35/h1-8,10-11,18,21-22,37-38H,9,12H2
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| InChIKey |
AGEAXLPBKHYYJE-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