General Information of the Compound
Compound ID
CP0402070
Compound Name
1-(2,6-dichlorophenyl)-2-(furan-2-yl)-5-methyl-4-(2-methylpropyl)imidazole
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Structure
Formula
C18H18Cl2N2O
Molecular Weight
349.261
Canonical SMILES
CC(C)Cc1nc(-c2ccco2)n(c1C)-c1c(Cl)cccc1Cl
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InChI
InChI=1S/C18H18Cl2N2O/c1-11(2)10-15-12(3)22(17-13(19)6-4-7-14(17)20)18(21-15)16-8-5-9-23-16/h4-9,11H,10H2,1-3H3
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InChIKey
MRHOGORWIALJOI-UHFFFAOYSA-N
Physicochemical Property
logP
5.94602
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
30.96
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: 155565880
ChEMBL ID
CHEMBL4580481
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: PT02663, Nuclear receptor ROR-gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000059 HuT 78 Homo sapiens (Human)  1
1
IC50 = 15 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4 nM