General Information of the Compound
Compound ID
CP0457169
Compound Name
7-bromo-2-phenyl-3H-imidazo[4,5-c]quinoline
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Structure
Formula
C16H10BrN3
Molecular Weight
324.181
Canonical SMILES
Brc1ccc2c3nc([nH]c3cnc2c1)-c1ccccc1
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InChI
InChI=1S/C16H10BrN3/c17-11-6-7-12-13(8-11)18-9-14-15(12)20-16(19-14)10-4-2-1-3-5-10/h1-9H,(H,19,20)
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InChIKey
WDFXGKFSVULCRK-UHFFFAOYSA-N
Physicochemical Property
logP
4.5406
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 57397881
ChEMBL ID
CHEMBL1934678
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 = 9500 nM
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