General Information of the Compound
| Compound ID |
CP0514046
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| Compound Name |
(3E,5E)-6-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol
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| Structure |
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| Formula |
C24H24F6O4
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| Molecular Weight |
490.44
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| Canonical SMILES |
CC\C(=C/C=C/C(O)(C(F)(F)F)C(F)(F)F)c1cccc(OCc2ccc(CO)c(CO)c2)c1
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| InChI |
InChI=1S/C24H24F6O4/c1-2-17(6-4-10-22(33,23(25,26)27)24(28,29)30)18-5-3-7-21(12-18)34-15-16-8-9-19(13-31)20(11-16)14-32/h3-12,31-33H,2,13-15H2,1H3/b10-4+,17-6+
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| InChIKey |
GTLCUSKTPJNTRH-YNXPHOCQSA-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