General Information of the Compound
| Compound ID |
CP0406737
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| Compound Name |
1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-2-phenyl-2,3-dihydropyridin-4-one
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| Structure |
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| Formula |
C21H20BrNO4
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| Molecular Weight |
430.298
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| Canonical SMILES |
COc1cc(Br)c(CC(=O)N2C=CC(=O)CC2c2ccccc2)cc1OC
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| InChI |
InChI=1S/C21H20BrNO4/c1-26-19-10-15(17(22)13-20(19)27-2)11-21(25)23-9-8-16(24)12-18(23)14-6-4-3-5-7-14/h3-10,13,18H,11-12H2,1-2H3
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| InChIKey |
FQOROXQYOIEESQ-UHFFFAOYSA-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