General Information of the Compound
Compound ID
CP0464954
Compound Name
5-Benzyl-4-(3-methoxy-benzyl)-1-methyl-1H-imidazol-2-ylamine
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Structure
Formula
C19H21N3O
Molecular Weight
307.397
Canonical SMILES
COc1cccc(Cc2nc(N)n(C)c2Cc2ccccc2)c1
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InChI
InChI=1S/C19H21N3O/c1-22-18(13-14-7-4-3-5-8-14)17(21-19(22)20)12-15-9-6-10-16(11-15)23-2/h3-11H,12-13H2,1-2H3,(H2,20,21)
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InChIKey
PIZIASHOENOPDY-UHFFFAOYSA-N
Physicochemical Property
logP
3.1925
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
53.07
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 44341073
ChEMBL ID
CHEMBL115679
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: PT01801, Leukotriene B4 receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000100 U-937 Homo sapiens (Human)  1
1
Ki = 27000 nM
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