General Information of the Compound
| Compound ID |
CP0169316
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| Compound Name |
2-[[2,5-bis(2-phenylethoxy)phenyl]methyl]hexanoic acid
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| Structure |
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| Formula |
C29H34O4
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| Molecular Weight |
446.587
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| Canonical SMILES |
CCCCC(Cc1cc(OCCc2ccccc2)ccc1OCCc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C29H34O4/c1-2-3-14-25(29(30)31)21-26-22-27(32-19-17-23-10-6-4-7-11-23)15-16-28(26)33-20-18-24-12-8-5-9-13-24/h4-13,15-16,22,25H,2-3,14,17-21H2,1H3,(H,30,31)
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| InChIKey |
OBQTVQRLGOQNRJ-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