General Information of the Compound
Compound ID
CP0396070
Compound Name
7-bromo-2-(2-chlorophenyl)-4-phenoxy-3H-imidazo[4,5-c]quinoline
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Structure
Formula
C22H13BrClN3O
Molecular Weight
450.723
Canonical SMILES
Clc1ccccc1-c1nc2c([nH]1)c(Oc1ccccc1)nc1cc(Br)ccc21
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InChI
InChI=1S/C22H13BrClN3O/c23-13-10-11-16-18(12-13)25-22(28-14-6-2-1-3-7-14)20-19(16)26-21(27-20)15-8-4-5-9-17(15)24/h1-12H,(H,26,27)
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InChIKey
KRZSQBOYXWQIJZ-UHFFFAOYSA-N
Physicochemical Property
logP
6.9863
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
50.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 57392545
ChEMBL ID
CHEMBL1934805
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 = 330 nM
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