General Information of the Compound
Compound ID
CP0508902
Compound Name
7-bromo-2-(2-phenylphenyl)-3H-imidazo[4,5-c]quinoline
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Structure
Formula
C22H14BrN3
Molecular Weight
400.279
Canonical SMILES
Brc1ccc2c3nc([nH]c3cnc2c1)-c1ccccc1-c1ccccc1
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InChI
InChI=1S/C22H14BrN3/c23-15-10-11-18-19(12-15)24-13-20-21(18)26-22(25-20)17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-13H,(H,25,26)
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InChIKey
PJTZQPFLWJJTRU-UHFFFAOYSA-N
Physicochemical Property
logP
6.2076
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 57394267
ChEMBL ID
CHEMBL1934799
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 = 4620 nM
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