General Information of the Compound
| Compound ID |
CP0431790
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| Compound Name |
US8906933, 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5-phenyl-6-(pyridin-3-yl)-3,4-dihydropyrimidin-2(1H)-one
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| Structure |
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| Formula |
C23H20N4O5
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| Molecular Weight |
432.436
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| Canonical SMILES |
CCOc1cc(cc(c1O)[N+]([O-])=O)C1NC(=O)NC(=C1c1ccccc1)c1cccnc1
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| InChI |
InChI=1S/C23H20N4O5/c1-2-32-18-12-16(11-17(22(18)28)27(30)31)21-19(14-7-4-3-5-8-14)20(25-23(29)26-21)15-9-6-10-24-13-15/h3-13,21,28H,2H2,1H3,(H2,25,26,29)
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| InChIKey |
IIDWQHVTAQYFRQ-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