General Information of the Compound
| Compound ID |
CP0069677
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| Compound Name |
2-[4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide
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| Structure |
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| Formula |
C27H23NO7
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| Molecular Weight |
473.481
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)c2ccc(OCC(=O)Nc3ccc4C(=O)OCc4c3)cc2)cc1OC
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| InChI |
InChI=1S/C27H23NO7/c1-32-24-12-4-17(13-25(24)33-2)3-11-23(29)18-5-8-21(9-6-18)34-16-26(30)28-20-7-10-22-19(14-20)15-35-27(22)31/h3-14H,15-16H2,1-2H3,(H,28,30)/b11-3+
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| InChIKey |
WEWVPFRDDBNWDX-QDEBKDIKSA-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