General Information of the Compound
| Compound ID |
CP0528789
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| Compound Name |
[4-(3-nitropyridin-2-yl)piperazin-1-yl]-(2-phenylphenyl)methanone
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| Structure |
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| Formula |
C22H20N4O3
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| Molecular Weight |
388.427
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| Canonical SMILES |
[O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C22H20N4O3/c27-22(19-10-5-4-9-18(19)17-7-2-1-3-8-17)25-15-13-24(14-16-25)21-20(26(28)29)11-6-12-23-21/h1-12H,13-16H2
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| InChIKey |
JYISLSJPMUEIFV-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