General Information of the Compound
| Compound ID |
CP0164426
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| Compound Name |
2-[4-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide
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| Structure |
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| Formula |
C27H23NO6
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| Molecular Weight |
457.482
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| Canonical SMILES |
CCOc1ccc(\C=C\C(=O)c2ccc(OCC(=O)Nc3ccc4C(=O)OCc4c3)cc2)cc1
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| InChI |
InChI=1S/C27H23NO6/c1-2-32-22-9-3-18(4-10-22)5-14-25(29)19-6-11-23(12-7-19)33-17-26(30)28-21-8-13-24-20(15-21)16-34-27(24)31/h3-15H,2,16-17H2,1H3,(H,28,30)/b14-5+
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| InChIKey |
NBTXFXABNCHMPA-LHHJGKSTSA-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