General Information of the Compound
| Compound ID |
CP0415311
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| Compound Name |
3-(3-methoxyphenyl)-5-(3-nitrophenyl)-1H-imidazol-2-one
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| Structure |
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| Formula |
C16H13N3O4
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| Molecular Weight |
311.297
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| Canonical SMILES |
COc1cccc(c1)-n1cc([nH]c1=O)-c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C16H13N3O4/c1-23-14-7-3-5-12(9-14)18-10-15(17-16(18)20)11-4-2-6-13(8-11)19(21)22/h2-10H,1H3,(H,17,20)
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| InChIKey |
MDGROKONWAYPDR-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