General Information of the Compound
| Compound ID |
CP0069871
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| Compound Name |
[2-[(4-hydroxy-2-iodo-5-methoxyphenyl)methylamino]-2-oxoethyl] dodecanoate
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| Structure |
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| Formula |
C22H34INO5
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| Molecular Weight |
519.42
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| Canonical SMILES |
CCCCCCCCCCCC(=O)OCC(=O)NCc1cc(OC)c(O)cc1I
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| InChI |
InChI=1S/C22H34INO5/c1-3-4-5-6-7-8-9-10-11-12-22(27)29-16-21(26)24-15-17-13-20(28-2)19(25)14-18(17)23/h13-14,25H,3-12,15-16H2,1-2H3,(H,24,26)
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| InChIKey |
KCAQTHNVCSZPOD-UHFFFAOYSA-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: PT01914, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1