General Information of the Compound
| Compound ID |
CP0474415
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| Compound Name |
2-(benzyloxy)-1-(4-(2-nitrophenyl)piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C19H21N3O4
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| Molecular Weight |
355.394
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1N1CCN(CC1)C(=O)COCc1ccccc1
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| InChI |
InChI=1S/C19H21N3O4/c23-19(15-26-14-16-6-2-1-3-7-16)21-12-10-20(11-13-21)17-8-4-5-9-18(17)22(24)25/h1-9H,10-15H2
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| InChIKey |
DMNVIYPPINZEFA-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