General Information of the Compound
Compound ID
CP0471702
Compound Name
(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol
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Structure
Formula
C27H20Cl3N3O
Molecular Weight
508.836
Canonical SMILES
Cc1ncc(n1C)C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1
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InChI
InChI=1S/C27H20Cl3N3O/c1-16-31-15-23(33(16)2)27(34,18-8-11-20(28)12-9-18)19-10-13-22-21(14-19)25(29)24(26(30)32-22)17-6-4-3-5-7-17/h3-15,34H,1-2H3
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InChIKey
LNIQOWITSGEWPD-UHFFFAOYSA-N
Physicochemical Property
logP
7.18812
Rotatable Bonds
4
Heavy Atom Count
34
Polar Areas
50.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 74222808
ChEMBL ID
CHEMBL4207122
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 = 600 nM
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