General Information of the Compound
Compound ID
CP0393656
Compound Name
(4-chlorophenyl)-(4-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol
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Structure
Formula
C26H19Cl2N3O
Molecular Weight
460.364
Canonical SMILES
Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2ncc(-c3ccccc3)c(Cl)c2c1
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InChI
InChI=1S/C26H19Cl2N3O/c1-31-16-29-15-24(31)26(32,18-7-10-20(27)11-8-18)19-9-12-23-21(13-19)25(28)22(14-30-23)17-5-3-2-4-6-17/h2-16,32H,1H3
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InChIKey
OGAURFRULGSRRT-UHFFFAOYSA-N
Physicochemical Property
logP
6.2263
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
50.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 86716106
ChEMBL ID
CHEMBL4099447
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 = 2700 nM
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