General Information of the Compound
Compound ID
CP0156847
Compound Name
2-(2-chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one
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Structure
Formula
C22H13ClFN3O
Molecular Weight
389.817
Canonical SMILES
Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1
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InChI
InChI=1S/C22H13ClFN3O/c23-15-7-4-8-16(24)18(15)21-26-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)25-22(28)20(19)27-21/h1-11H,(H,25,28)(H,26,27)
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InChIKey
VTGCIWWYBFGGNJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.5309
Rotatable Bonds
2
Heavy Atom Count
28
Polar Areas
61.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 56589615
SID: 134216747
ChEMBL ID
CHEMBL2387503
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 = 4.1 nM
   TI
   LI
   LO
   TS
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 33 nM
   TI
   LI
   LO
   TS