General Information of the Compound
Compound ID
CP0324894
Compound Name
5-[2-(2-cyclohexylethoxy)phenyl]-1H-imidazole
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Structure
Formula
C17H22N2O
Molecular Weight
270.376
Canonical SMILES
C(CC1CCCCC1)Oc1ccccc1-c1cnc[nH]1
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InChI
InChI=1S/C17H22N2O/c1-2-6-14(7-3-1)10-11-20-17-9-5-4-8-15(17)16-12-18-13-19-16/h4-5,8-9,12-14H,1-3,6-7,10-11H2,(H,18,19)
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InChIKey
GJAYHLZXWRUTCL-UHFFFAOYSA-N
Physicochemical Property
logP
4.4259
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
37.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 58294088
ChEMBL ID
CHEMBL4466391
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: PT01557, Indoleamine 2,3-dioxygenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293 Homo sapiens (Human)  1
1
EC50 = 26000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3800 nM