General Information of the Compound
Compound ID
CP0386068
Compound Name
N-methyl-N-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohexanamine
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Structure
Formula
C26H36N2
Molecular Weight
376.588
Canonical SMILES
CN(Cc1ccc(cc1)-c1ccc(CN2CCCCC2)cc1)C1CCCCC1
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InChI
InChI=1S/C26H36N2/c1-27(26-8-4-2-5-9-26)20-22-10-14-24(15-11-22)25-16-12-23(13-17-25)21-28-18-6-3-7-19-28/h10-17,26H,2-9,18-21H2,1H3
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InChIKey
DYZYFNKKYJDTTL-UHFFFAOYSA-N
Physicochemical Property
logP
6.104
Rotatable Bonds
6
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: 44588178
ChEMBL ID
CHEMBL511687
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 = 2.754 nM
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