General Information of the Compound
| Compound ID |
CP0126102
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| Compound Name |
[2-[(4-hydroxy-2-iodo-5-methoxyphenyl)methylamino]-2-oxoethyl] (2E)-3,7-dimethylocta-2,6-dienoate
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| Structure |
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| Formula |
C20H26INO5
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| Molecular Weight |
487.334
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| Canonical SMILES |
COc1cc(CNC(=O)COC(=O)\C=C(/C)CCC=C(C)C)c(I)cc1O
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| InChI |
InChI=1S/C20H26INO5/c1-13(2)6-5-7-14(3)8-20(25)27-12-19(24)22-11-15-9-18(26-4)17(23)10-16(15)21/h6,8-10,23H,5,7,11-12H2,1-4H3,(H,22,24)/b14-8+
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| InChIKey |
UQTPQYVSYSETPZ-RIYZIHGNSA-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: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1