General Information of the Compound
| Compound ID |
CP0248390
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| Compound Name |
1-(4-nitrophenyl)-2-(2-propylimidazol-1-yl)ethanone
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| Structure |
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| Formula |
C14H15N3O3
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| Molecular Weight |
273.292
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| Canonical SMILES |
CCCc1nccn1CC(=O)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C14H15N3O3/c1-2-3-14-15-8-9-16(14)10-13(18)11-4-6-12(7-5-11)17(19)20/h4-9H,2-3,10H2,1H3
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| InChIKey |
STOXYEOEBXPVBA-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