General Information of the Compound
Compound ID
CP0451222
Compound Name
4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N,N-dimethylaniline
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Structure
Formula
C22H19FN4
Molecular Weight
358.42
Canonical SMILES
CN(C)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
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InChI
InChI=1S/C22H19FN4/c1-27(2)19-9-5-17(6-10-19)22-25-20(15-3-7-18(23)8-4-15)21(26-22)16-11-13-24-14-12-16/h3-14H,1-2H3,(H,25,26)
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InChIKey
NKUBZDPTLCVZAC-UHFFFAOYSA-N
Physicochemical Property
logP
5.0108
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
44.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 9968732
SID: 14945796
ChEMBL ID
CHEMBL17325
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 5600 nM
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