General Information of the Compound
| Compound ID |
CP0256301
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| Compound Name |
2-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
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| Structure |
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| Formula |
C25H22ClNO5
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| Molecular Weight |
451.906
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| Canonical SMILES |
COc1ccc(NC(=O)COc2ccc(cc2)C(=O)\C=C\c2ccc(Cl)cc2)cc1OC
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| InChI |
InChI=1S/C25H22ClNO5/c1-30-23-14-10-20(15-24(23)31-2)27-25(29)16-32-21-11-6-18(7-12-21)22(28)13-5-17-3-8-19(26)9-4-17/h3-15H,16H2,1-2H3,(H,27,29)/b13-5+
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| InChIKey |
CBYXBMFHPGIEFI-WLRTZDKTSA-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