General Information of the Compound
| Compound ID |
CP0446039
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| Compound Name |
3-(3-methoxyphenyl)-1-methyl-6-(3-nitrophenyl)-4H-pyrimidin-2-one
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| Structure |
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| Formula |
C18H17N3O4
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| Molecular Weight |
339.351
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| Canonical SMILES |
COc1cccc(c1)N1CC=C(N(C)C1=O)c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C18H17N3O4/c1-19-17(13-5-3-7-15(11-13)21(23)24)9-10-20(18(19)22)14-6-4-8-16(12-14)25-2/h3-9,11-12H,10H2,1-2H3
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| InChIKey |
CKTVXBCLUIRGRF-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