General Information of the Compound
| Compound ID |
CP0163569
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| Compound Name |
(2,6-Dimethyl-phenyl)-[4-(4-methoxy-benzyl)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-methanone
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| Structure |
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| Formula |
C28H38N2O2
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| Molecular Weight |
434.624
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| Canonical SMILES |
COc1ccc(CC2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cccc2C)cc1
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| InChI |
InChI=1S/C28H38N2O2/c1-21-6-5-7-22(2)26(21)27(31)29-18-14-28(3,15-19-29)30-16-12-24(13-17-30)20-23-8-10-25(32-4)11-9-23/h5-11,24H,12-20H2,1-4H3
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| InChIKey |
LKDCAIVJHAMVHC-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