General Information of the Compound
| Compound ID |
CP0048572
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| Compound Name |
1-Benzyl-4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperazine
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| Structure |
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| Formula |
C20H24N2O2
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| Molecular Weight |
324.424
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| Canonical SMILES |
C(C1COc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C20H24N2O2/c1-2-6-17(7-3-1)14-21-10-12-22(13-11-21)15-18-16-23-19-8-4-5-9-20(19)24-18/h1-9,18H,10-16H2
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| InChIKey |
WEWQIJGSOWZYLM-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