General Information of the Compound
| Compound ID |
CP0109672
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| Compound Name |
1-[4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]ethanone
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| Structure |
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| Formula |
C22H27NO2
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| Molecular Weight |
337.463
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| Canonical SMILES |
CC1CCCN(Cc2ccc(COc3ccc(cc3)C(C)=O)cc2)C1
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| InChI |
InChI=1S/C22H27NO2/c1-17-4-3-13-23(14-17)15-19-5-7-20(8-6-19)16-25-22-11-9-21(10-12-22)18(2)24/h5-12,17H,3-4,13-16H2,1-2H3
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| InChIKey |
VIJXBNYOIBJHGJ-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