General Information of the Compound
| Compound ID |
CP0113991
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| Compound Name |
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene-1,3-diol
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| Structure |
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| Formula |
C25H27F3O2
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| Molecular Weight |
416.483
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| Canonical SMILES |
CC(C)=CCC\C(C)=C\Cc1c(O)cc(\C=C\c2cccc(c2)C(F)(F)F)cc1O
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| InChI |
InChI=1S/C25H27F3O2/c1-17(2)6-4-7-18(3)10-13-22-23(29)15-20(16-24(22)30)12-11-19-8-5-9-21(14-19)25(26,27)28/h5-6,8-12,14-16,29-30H,4,7,13H2,1-3H3/b12-11+,18-10+
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| InChIKey |
AYXUGNAPZHLRMC-TWCSMJBVSA-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