General Information of the Compound
| Compound ID |
CP0093910
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| Compound Name |
1-(4-nitrophenyl)-2-(4-phenylimidazol-1-yl)ethanone
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| Structure |
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| Formula |
C17H13N3O3
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| Molecular Weight |
307.309
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)C(=O)Cn1cnc(c1)-c1ccccc1
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| InChI |
InChI=1S/C17H13N3O3/c21-17(14-6-8-15(9-7-14)20(22)23)11-19-10-16(18-12-19)13-4-2-1-3-5-13/h1-10,12H,11H2
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| InChIKey |
VMOMLXIICNJLTN-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