General Information of the Compound
| Compound ID |
CP0571241
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| Compound Name |
2-phenylethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)propanoate
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| Structure |
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| Formula |
C19H22O5
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| Molecular Weight |
330.38
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| Canonical SMILES |
COc1cc(CCC(=O)OCCc2ccccc2)cc(OC)c1O
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| InChI |
InChI=1S/C19H22O5/c1-22-16-12-15(13-17(23-2)19(16)21)8-9-18(20)24-11-10-14-6-4-3-5-7-14/h3-7,12-13,21H,8-11H2,1-2H3
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| InChIKey |
QNEGWOQZIIYNHP-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