General Information of the Compound
| Compound ID |
CP0416560
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| Compound Name |
1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine
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| Structure |
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| Formula |
C20H24ClNO
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| Molecular Weight |
329.871
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| Canonical SMILES |
COc1ccc(CN2CCCC(C)C2)cc1-c1cccc(Cl)c1
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| InChI |
InChI=1S/C20H24ClNO/c1-15-5-4-10-22(13-15)14-16-8-9-20(23-2)19(11-16)17-6-3-7-18(21)12-17/h3,6-9,11-12,15H,4-5,10,13-14H2,1-2H3
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| InChIKey |
WXTKZPYCIMNDEU-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