General Information of the Compound
Compound ID
CP0392452
Compound Name
7-bromo-2-(2-chlorophenyl)-4-ethoxy-3H-imidazo[4,5-c]quinoline
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Structure
Formula
C18H13BrClN3O
Molecular Weight
402.679
Canonical SMILES
CCOc1nc2cc(Br)ccc2c2nc([nH]c12)-c1ccccc1Cl
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InChI
InChI=1S/C18H13BrClN3O/c1-2-24-18-16-15(12-8-7-10(19)9-14(12)21-18)22-17(23-16)11-5-3-4-6-13(11)20/h3-9H,2H2,1H3,(H,22,23)
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InChIKey
FSDAYSZWCKJNII-UHFFFAOYSA-N
Physicochemical Property
logP
5.5927
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
50.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 57397815
ChEMBL ID
CHEMBL1934809
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 = 108 nM
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