General Information of the Compound
Compound ID
CP0449562
Compound Name
2-(2-chlorophenyl)-7-ethyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one
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Structure
Formula
C18H14ClN3O
Molecular Weight
323.783
Canonical SMILES
CCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl
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InChI
InChI=1S/C18H14ClN3O/c1-2-10-7-8-12-14(9-10)20-18(23)16-15(12)21-17(22-16)11-5-3-4-6-13(11)19/h3-9H,2H2,1H3,(H,20,23)(H,21,22)
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InChIKey
PXZRQATTWSLRPF-UHFFFAOYSA-N
Physicochemical Property
logP
4.2872
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
61.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 71659491
ChEMBL ID
CHEMBL2387594
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 = 98 nM
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