General Information of the Compound
Compound ID
CP0469733
Compound Name
4-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]morpholine
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Structure
Formula
C22H28N2O2
Molecular Weight
352.478
Canonical SMILES
C(N1CCOCC1)c1ccc(cc1)-c1ccc(CN2CCOCC2)cc1
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InChI
InChI=1S/C22H28N2O2/c1-5-21(6-2-19(1)17-23-9-13-25-14-10-23)22-7-3-20(4-8-22)18-24-11-15-26-16-12-24/h1-8H,9-18H2
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InChIKey
PWCUKEUQZRNKBH-UHFFFAOYSA-N
Physicochemical Property
logP
3.018
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
24.94
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 44414519
ChEMBL ID
CHEMBL213085
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 = 12.3 nM
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