General Information of the Compound
| Compound ID |
CP0249523
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| Compound Name |
ethyl 2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]acetate
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| Structure |
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| Formula |
C25H34O4
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| Molecular Weight |
398.543
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| Canonical SMILES |
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)OCC)c(C)c1
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| InChI |
InChI=1S/C25H34O4/c1-6-13-25(14-7-2,20-9-11-22(26)18(4)15-20)21-10-12-23(19(5)16-21)29-17-24(27)28-8-3/h9-12,15-16,26H,6-8,13-14,17H2,1-5H3
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| InChIKey |
QWIULWGNMUBABR-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