General Information of the Compound
Compound ID
CP0373003
Compound Name
4-methyl-1-[[4-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]phenyl]methyl]piperidine
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Structure
Formula
C26H36N2
Molecular Weight
376.588
Canonical SMILES
CC1CCN(Cc2ccc(cc2)-c2ccc(CN3CCC(C)CC3)cc2)CC1
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InChI
InChI=1S/C26H36N2/c1-21-11-15-27(16-12-21)19-23-3-7-25(8-4-23)26-9-5-24(6-10-26)20-28-17-13-22(2)14-18-28/h3-10,21-22H,11-20H2,1-2H3
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InChIKey
TUYOWRFISVMVGX-UHFFFAOYSA-N
Physicochemical Property
logP
5.8174
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
6.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 44414480
ChEMBL ID
CHEMBL214269
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
Ki = 6.166 nM
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