General Information of the Compound
| Compound ID |
CP0457280
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| Compound Name |
1-(4-Benzyl-piperidin-1-yl)-3-phenoxy-propan-2-ol
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| Structure |
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| Formula |
C21H27NO2
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| Molecular Weight |
325.452
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| Canonical SMILES |
OC(COc1ccccc1)CN1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C21H27NO2/c23-20(17-24-21-9-5-2-6-10-21)16-22-13-11-19(12-14-22)15-18-7-3-1-4-8-18/h1-10,19-20,23H,11-17H2
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| InChIKey |
IRCVGKKVEJXPLO-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