General Information of the Compound
| Compound ID |
CP0394189
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| Compound Name |
1-[4-(4-Methoxy-benzyl)-[1,4'']bipiperidinyl-1''-yl]-2-o-tolyl-ethanone
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| Structure |
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| Formula |
C27H36N2O2
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| Molecular Weight |
420.597
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| Canonical SMILES |
COc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)Cc2ccccc2C)cc1
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| InChI |
InChI=1S/C27H36N2O2/c1-21-5-3-4-6-24(21)20-27(30)29-17-13-25(14-18-29)28-15-11-23(12-16-28)19-22-7-9-26(31-2)10-8-22/h3-10,23,25H,11-20H2,1-2H3
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| InChIKey |
OZIPSESMEGJVGY-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