General Information of the Compound
Compound ID
CP0476935
Compound Name
(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoropyridin-4-yl)-(1-methylimidazol-2-yl)methanol
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Structure
Formula
C25H17Cl2FN4O
Molecular Weight
479.342
Canonical SMILES
Cn1ccnc1C(O)(c1ccnc(F)c1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1
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InChI
InChI=1S/C25H17Cl2FN4O/c1-32-12-11-30-24(32)25(33,17-9-10-29-20(28)14-17)16-7-8-19-18(13-16)22(26)21(23(27)31-19)15-5-3-2-4-6-15/h2-14,33H,1H3
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InChIKey
UCUWSCFHYLUMMT-UHFFFAOYSA-N
Physicochemical Property
logP
5.7604
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
63.83
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 118005516
ChEMBL ID
CHEMBL4210499
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 > 6000 nM
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