General Information of the Compound
| Compound ID |
CP0069676
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| Compound Name |
2-[4-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]phenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide
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| Structure |
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| Formula |
C25H17F2NO5
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| Molecular Weight |
449.409
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| Canonical SMILES |
Fc1cccc(F)c1\C=C\C(=O)c1ccc(OCC(=O)Nc2ccc3C(=O)OCc3c2)cc1
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| InChI |
InChI=1S/C25H17F2NO5/c26-21-2-1-3-22(27)20(21)10-11-23(29)15-4-7-18(8-5-15)32-14-24(30)28-17-6-9-19-16(12-17)13-33-25(19)31/h1-12H,13-14H2,(H,28,30)/b11-10+
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| InChIKey |
BDIHMOMPFWOHNY-ZHACJKMWSA-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