General Information of the Compound
Compound ID
CP0537455
Compound Name
4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,6-dimethyl-phenol
    Show/Hide
Structure
Formula
C22H18FN3O
Molecular Weight
359.404
Canonical SMILES
Cc1cc(cc(C)c1O)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
    Show/Hide
InChI
InChI=1S/C22H18FN3O/c1-13-11-17(12-14(2)21(13)27)22-25-19(15-3-5-18(23)6-4-15)20(26-22)16-7-9-24-10-8-16/h3-12,27H,1-2H3,(H,25,26)
    Show/Hide
InChIKey
TZQNFQCZKXEYMY-UHFFFAOYSA-N
Physicochemical Property
logP
5.26724
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
61.8
Hydrogen Bond Donor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 135432996
SID: 15274709
ChEMBL ID
CHEMBL17158
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 = 3100 nM
   TI
   LI
   LO
   TS