General Information of the Compound
| Compound ID |
CP0316886
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| Compound Name |
2-[2-methoxy-4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide
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| Structure |
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| Formula |
C29H27NO9
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| Molecular Weight |
533.533
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| Canonical SMILES |
COc1cc(ccc1OCC(=O)Nc1ccc2C(=O)OCc2c1)C(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C29H27NO9/c1-34-24-14-18(22(31)9-5-17-11-25(35-2)28(37-4)26(12-17)36-3)6-10-23(24)38-16-27(32)30-20-7-8-21-19(13-20)15-39-29(21)33/h5-14H,15-16H2,1-4H3,(H,30,32)/b9-5+
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| InChIKey |
QECSWQKLINLPBP-WEVVVXLNSA-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