General Information of the Compound
| Compound ID |
CP0777764
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| Compound Name |
5-Methoxy-6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one
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| Structure |
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| Formula |
C13H13N3O5
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| Molecular Weight |
291.263
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| Canonical SMILES |
COC(=O)C1=C(C)NC(=O)NC1c1ccc([N+](=O)[O-])cc1
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| InChI |
InChI=1S/C13H13N3O5/c1-7-10(12(17)21-2)11(15-13(18)14-7)8-3-5-9(6-4-8)16(19)20/h3-6,11H,1-2H3,(H2,14,15,18)
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| InChIKey |
JUGYSSSLMPOMSI-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