General Information of the Compound
Compound ID
CP0436857
Compound Name
2-[2-(3-methoxyphenyl)ethyl]-1-(2-phenylethyl)-4,5-dihydroimidazole
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Structure
Formula
C20H24N2O
Molecular Weight
308.425
Canonical SMILES
COc1cccc(CCC2=NCCN2CCc2ccccc2)c1
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InChI
InChI=1S/C20H24N2O/c1-23-19-9-5-8-18(16-19)10-11-20-21-13-15-22(20)14-12-17-6-3-2-4-7-17/h2-9,16H,10-15H2,1H3
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InChIKey
DBBKBBSCLZZZQQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.5846
Rotatable Bonds
7
Heavy Atom Count
23
Polar Areas
24.83
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 137651576
ChEMBL ID
CHEMBL4079495
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: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 95.5 nM
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