General Information of the Compound
Compound ID
CP0385242
Compound Name
1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine
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Structure
Formula
C20H24ClNO
Molecular Weight
329.871
Canonical SMILES
COc1ccccc1-c1cc(CN2CCC(C)CC2)ccc1Cl
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InChI
InChI=1S/C20H24ClNO/c1-15-9-11-22(12-10-15)14-16-7-8-19(21)18(13-16)17-5-3-4-6-20(17)23-2/h3-8,13,15H,9-12,14H2,1-2H3
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InChIKey
USNYCMQXMOQTHK-UHFFFAOYSA-N
Physicochemical Property
logP
5.2475
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
23

"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).

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PubChem ID
CID: 134155651
ChEMBL ID
CHEMBL3959382
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 389 nM
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