General Information of the Compound
Compound ID
CP0429940
Compound Name
(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol
    Show/Hide
Structure
Formula
C26H18Cl3N3O
Molecular Weight
494.809
Canonical SMILES
Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1
    Show/Hide
InChI
InChI=1S/C26H18Cl3N3O/c1-32-15-30-14-22(32)26(33,17-7-10-19(27)11-8-17)18-9-12-21-20(13-18)24(28)23(25(29)31-21)16-5-3-2-4-6-16/h2-15,33H,1H3
    Show/Hide
InChIKey
QOYQIWQMFXCUDP-UHFFFAOYSA-N
Physicochemical Property
logP
6.8797
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
50.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 90100965
ChEMBL ID
CHEMBL4071285
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
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 260 nM
   TI
   LI
   LO
   TS