General Information of the Compound
Compound ID
CP0556276
Compound Name
2-(2-chlorophenyl)-7-naphthalen-2-yl-3,5-dihydroimidazo[4,5-c]quinolin-4-one
    Show/Hide
Structure
Formula
C26H16ClN3O
Molecular Weight
421.887
Canonical SMILES
Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccc2ccccc2c1
    Show/Hide
InChI
InChI=1S/C26H16ClN3O/c27-21-8-4-3-7-19(21)25-29-23-20-12-11-18(14-22(20)28-26(31)24(23)30-25)17-10-9-15-5-1-2-6-16(15)13-17/h1-14H,(H,28,31)(H,29,30)
    Show/Hide
InChIKey
JOJCAIVXGLEAHI-UHFFFAOYSA-N
Physicochemical Property
logP
6.545
Rotatable Bonds
2
Heavy Atom Count
31
Polar Areas
61.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
31

"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: 71659613
ChEMBL ID
CHEMBL2387602
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 = 32 nM
   TI
   LI
   LO
   TS