General Information of the Compound
| Compound ID |
CP0100506
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| Compound Name |
1-{4-[1'-(2,6-Dimethyl-benzoyl)-4'-methyl-[1,4']bipiperidinyl-4-ylmethyl]-phenyl}-ethanone
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| Structure |
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| Formula |
C29H38N2O2
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| Molecular Weight |
446.635
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| Canonical SMILES |
CC(=O)c1ccc(CC2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cccc2C)cc1
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| InChI |
InChI=1S/C29H38N2O2/c1-21-6-5-7-22(2)27(21)28(33)30-18-14-29(4,15-19-30)31-16-12-25(13-17-31)20-24-8-10-26(11-9-24)23(3)32/h5-11,25H,12-20H2,1-4H3
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| InChIKey |
PGHGXGPMAYCWGK-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