General Information of the Compound
Compound ID
CP0446274
Compound Name
2-(2-chloro-6-fluorophenyl)-7-(2-chlorophenyl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one
    Show/Hide
Structure
Formula
C22H12Cl2FN3O
Molecular Weight
424.262
Canonical SMILES
Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1Cl
    Show/Hide
InChI
InChI=1S/C22H12Cl2FN3O/c23-14-5-2-1-4-12(14)11-8-9-13-17(10-11)26-22(29)20-19(13)27-21(28-20)18-15(24)6-3-7-16(18)25/h1-10H,(H,26,29)(H,27,28)
    Show/Hide
InChIKey
AVUOMYZMGMHQBM-UHFFFAOYSA-N
Physicochemical Property
logP
6.1843
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
61.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 71659756
ChEMBL ID
CHEMBL2387507
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: PT02025, Prostaglandin E synthase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 4.3 nM
   TI
   LI
   LO
   TS