General Information of the Compound
| Compound ID |
CP0944560
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| Compound Name |
1-Methyl-4-[3-(4-piperidin-1-ylmethyl-phenoxy)-propyl]-piperazine
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| Structure |
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| Formula |
C20H33N3O
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| Molecular Weight |
331.504
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| Canonical SMILES |
CN1CCN(CCCOc2ccc(CN3CCCCC3)cc2)CC1
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| InChI |
InChI=1S/C20H33N3O/c1-21-13-15-22(16-14-21)12-5-17-24-20-8-6-19(7-9-20)18-23-10-3-2-4-11-23/h6-9H,2-5,10-18H2,1H3
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| InChIKey |
BNIODALAVHNQQG-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