General Information of the Compound
Compound ID
CP0392450
Compound Name
7-bromo-2-(2-chlorophenyl)-4-phenylmethoxy-3H-imidazo[4,5-c]quinoline
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Structure
Formula
C23H15BrClN3O
Molecular Weight
464.75
Canonical SMILES
Clc1ccccc1-c1nc2c([nH]1)c(OCc1ccccc1)nc1cc(Br)ccc21
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InChI
InChI=1S/C23H15BrClN3O/c24-15-10-11-17-19(12-15)26-23(29-13-14-6-2-1-3-7-14)21-20(17)27-22(28-21)16-8-4-5-9-18(16)25/h1-12H,13H2,(H,27,28)
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InChIKey
DMFWJPBDVHOAND-UHFFFAOYSA-N
Physicochemical Property
logP
6.773
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
50.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 57394270
ChEMBL ID
CHEMBL1934807
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 = 172 nM
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