General Information of the Compound
| Compound ID |
CP0323291
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| Compound Name |
propan-2-yl 2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]acetate
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| Structure |
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| Formula |
C26H36O4
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| Molecular Weight |
412.57
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| Canonical SMILES |
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)OC(C)C)c(C)c1
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| InChI |
InChI=1S/C26H36O4/c1-7-13-26(14-8-2,21-9-11-23(27)19(5)15-21)22-10-12-24(20(6)16-22)29-17-25(28)30-18(3)4/h9-12,15-16,18,27H,7-8,13-14,17H2,1-6H3
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| InChIKey |
LUXBYALRYCXAJI-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