General Information of the Compound
| Compound ID |
CP0381551
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| Compound Name |
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
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| Structure |
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| Formula |
C20H23ClN2O2
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| Molecular Weight |
358.869
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C20H23ClN2O2/c1-16-2-4-17(5-3-16)20(24)23-12-10-22(11-13-23)14-15-25-19-8-6-18(21)7-9-19/h2-9H,10-15H2,1H3
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| InChIKey |
XIASBBIKQNGLCJ-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