General Information of the Compound
| Compound ID |
CP0256321
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| Compound Name |
2-[4-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
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| Structure |
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| Formula |
C25H21F2NO5
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| Molecular Weight |
453.441
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| Canonical SMILES |
COc1ccc(NC(=O)COc2ccc(cc2)C(=O)\C=C\c2c(F)cccc2F)cc1OC
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| InChI |
InChI=1S/C25H21F2NO5/c1-31-23-13-8-17(14-24(23)32-2)28-25(30)15-33-18-9-6-16(7-10-18)22(29)12-11-19-20(26)4-3-5-21(19)27/h3-14H,15H2,1-2H3,(H,28,30)/b12-11+
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| InChIKey |
MDYLOLPSQLFUCF-VAWYXSNFSA-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