General Information of the Compound
| Compound ID |
CP0410529
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| Compound Name |
[(2Z)-3,7-dimethylocta-2,6-dienyl] 2-(3-iodophenyl)acetate
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| Structure |
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| Formula |
C18H23IO2
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| Molecular Weight |
398.284
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| Canonical SMILES |
CC(C)=CCC\C(C)=C/COC(=O)Cc1cccc(I)c1
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| InChI |
InChI=1S/C18H23IO2/c1-14(2)6-4-7-15(3)10-11-21-18(20)13-16-8-5-9-17(19)12-16/h5-6,8-10,12H,4,7,11,13H2,1-3H3/b15-10-
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| InChIKey |
IPSOPXQFIDUPPY-GDNBJRDFSA-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