General Information of the Compound
| Compound ID |
CP0522922
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| Compound Name |
3-(4-{[3-(Benzyloxy)benzyl]oxy}phenyl)propanoic Acid
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| Structure |
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| Formula |
C23H22O4
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| Molecular Weight |
362.425
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| Canonical SMILES |
OC(=O)CCc1ccc(OCc2cccc(OCc3ccccc3)c2)cc1
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| InChI |
InChI=1S/C23H22O4/c24-23(25)14-11-18-9-12-21(13-10-18)26-17-20-7-4-8-22(15-20)27-16-19-5-2-1-3-6-19/h1-10,12-13,15H,11,14,16-17H2,(H,24,25)
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| InChIKey |
WDOULRHADXBLKD-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