General Information of the Compound
| Compound ID |
CP0404403
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| Compound Name |
2-[[2,5,7,8-tetramethyl-2-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]carbonyl-3,4-dihydrochromen-6-yl]oxy]acetic acid
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| Structure |
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| Formula |
C36H58O6
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| Molecular Weight |
586.854
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| Canonical SMILES |
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COC(=O)C1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1
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| InChI |
InChI=1S/C36H58O6/c1-24(2)13-10-14-25(3)15-11-16-26(4)17-12-18-27(5)20-22-40-35(39)36(9)21-19-31-30(8)33(41-23-32(37)38)28(6)29(7)34(31)42-36/h20,24-26H,10-19,21-23H2,1-9H3,(H,37,38)/b27-20+/t25-,26-,36?/m1/s1
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| InChIKey |
GLIRWLJIRNITTL-LTBGKYDCSA-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