General Information of the Compound
| Compound ID |
CP0428324
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| Compound Name |
1-(2-(2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy)phenyl)ethanone
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| Structure |
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| Formula |
C22H27NO4
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| Molecular Weight |
369.461
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| Canonical SMILES |
CC(=O)c1ccccc1OCC(O)CN1CCC(O)(CC1)c1ccccc1
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| InChI |
InChI=1S/C22H27NO4/c1-17(24)20-9-5-6-10-21(20)27-16-19(25)15-23-13-11-22(26,12-14-23)18-7-3-2-4-8-18/h2-10,19,25-26H,11-16H2,1H3
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| InChIKey |
SCAHBNXOKPAADX-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