General Information of the Compound
| Compound ID |
CP0159812
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| Compound Name |
N-[3-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
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| Structure |
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| Formula |
C29H34N2O3
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| Molecular Weight |
458.602
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| Canonical SMILES |
COc1ccc(Oc2ccc(CN3CCC(CC3)c3cccc(NC(=O)C(C)C)c3)cc2)cc1
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| InChI |
InChI=1S/C29H34N2O3/c1-21(2)29(32)30-25-6-4-5-24(19-25)23-15-17-31(18-16-23)20-22-7-9-27(10-8-22)34-28-13-11-26(33-3)12-14-28/h4-14,19,21,23H,15-18,20H2,1-3H3,(H,30,32)
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| InChIKey |
RBVKMXSYCQGAEL-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