General Information of the Compound
| Compound ID |
CP0396990
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| Compound Name |
[(2E)-3,7-dimethylocta-2,6-dienyl] 3,5-bis(trifluoromethyl)benzoate
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| Structure |
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| Formula |
C19H20F6O2
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| Molecular Weight |
394.355
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| Canonical SMILES |
CC(C)=CCC\C(C)=C\COC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C19H20F6O2/c1-12(2)5-4-6-13(3)7-8-27-17(26)14-9-15(18(20,21)22)11-16(10-14)19(23,24)25/h5,7,9-11H,4,6,8H2,1-3H3/b13-7+
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| InChIKey |
CHRRGKIQQYVSAU-NTUHNPAUSA-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
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT05529, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1