General Information of the Compound
| Compound ID |
CP0104573
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| Compound Name |
[2-[(3,4-dihydroxyphenyl)methylamino]-2-oxoethyl] (4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoate
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| Structure |
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| Formula |
C36H53NO5
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| Molecular Weight |
579.822
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| Canonical SMILES |
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC(=O)OCC(=O)NCc1ccc(O)c(O)c1
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| InChI |
InChI=1S/C36H53NO5/c1-27(2)12-9-15-30(5)18-10-16-28(3)13-7-8-14-29(4)17-11-19-31(6)20-23-36(41)42-26-35(40)37-25-32-21-22-33(38)34(39)24-32/h12-14,18-19,21-22,24,38-39H,7-11,15-17,20,23,25-26H2,1-6H3,(H,37,40)/b28-13+,29-14+,30-18+,31-19+
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| InChIKey |
DERUVJAAKIKQPZ-AXBXZHNYSA-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