General Information of the Compound
| Compound ID |
CP0549839
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| Compound Name |
2-phenylethyl 2-(4-hydroxy-3,5-dimethoxyphenyl)acetate
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| Structure |
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| Formula |
C18H20O5
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| Molecular Weight |
316.353
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| Canonical SMILES |
COc1cc(CC(=O)OCCc2ccccc2)cc(OC)c1O
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| InChI |
InChI=1S/C18H20O5/c1-21-15-10-14(11-16(22-2)18(15)20)12-17(19)23-9-8-13-6-4-3-5-7-13/h3-7,10-11,20H,8-9,12H2,1-2H3
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| InChIKey |
YNXCRXDLJCRNKK-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