General Information of the Compound
Compound ID
CP0353091
Compound Name
2-(5-chlorofuran-2-yl)-1-(2,6-dichlorophenyl)-5-methyl-4-(trifluoromethyl)imidazole
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Structure
Formula
C15H8Cl3F3N2O
Molecular Weight
395.595
Canonical SMILES
Cc1c(nc(-c2ccc(Cl)o2)n1-c1c(Cl)cccc1Cl)C(F)(F)F
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InChI
InChI=1S/C15H8Cl3F3N2O/c1-7-13(15(19,20)21)22-14(10-5-6-11(18)24-10)23(7)12-8(16)3-2-4-9(12)17/h2-6H,1H3
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InChIKey
QDGOIPBUPCANLG-UHFFFAOYSA-N
Physicochemical Property
logP
6.41972
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
30.96
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 155560017
ChEMBL ID
CHEMBL4562740
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 = 189 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4 nM