General Information of the Compound
Compound ID
CP0433645
Compound Name
7-chloro-2-(2-chlorophenyl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one
    Show/Hide
Structure
Formula
C16H9Cl2N3O
Molecular Weight
330.174
Canonical SMILES
Clc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl
    Show/Hide
InChI
InChI=1S/C16H9Cl2N3O/c17-8-5-6-10-12(7-8)19-16(22)14-13(10)20-15(21-14)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21)
    Show/Hide
InChIKey
NMAXYWKTMNUWHI-UHFFFAOYSA-N
Physicochemical Property
logP
4.3782
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
61.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 71659357
ChEMBL ID
CHEMBL2387590
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 = 27 nM
   TI
   LI
   LO
   TS