General Information of the Compound
| Compound ID |
CP0448571
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| Compound Name |
2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-pyridin-4-yl)-propyl]-phenyl}-1,1,1,3,3,3-hexafluoro-propan-2-ol
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| Structure |
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| Formula |
C25H19F10NO4
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| Molecular Weight |
587.41
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| Canonical SMILES |
CC(C(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccc(OC(F)F)c(OC(F)F)c1)c1cc[n+]([O-])cc1
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| InChI |
InChI=1S/C25H19F10NO4/c1-13(14-8-10-36(38)11-9-14)20(16-4-7-18(39-21(26)27)19(12-16)40-22(28)29)15-2-5-17(6-3-15)23(37,24(30,31)32)25(33,34)35/h2-13,20-22,37H,1H3
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| InChIKey |
ODBDVZDFRNCOCN-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