General Information of the Compound
| Compound ID |
CP0441230
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| Compound Name |
2-[6-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidin-3-yl]benzamide
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| Structure |
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| Formula |
C17H14N4O4
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| Molecular Weight |
338.323
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| Canonical SMILES |
NC(=O)c1ccccc1N1CC=C(NC1=O)c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C17H14N4O4/c18-16(22)13-6-1-2-7-15(13)20-9-8-14(19-17(20)23)11-4-3-5-12(10-11)21(24)25/h1-8,10H,9H2,(H2,18,22)(H,19,23)
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| InChIKey |
JIOCCGAXFKHUJF-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