General Information of the Compound
Compound ID
CP0452367
Compound Name
7-bromo-2-(2-chlorophenyl)-3,5-dimethylimidazo[4,5-c]quinolin-4-one
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Structure
Formula
C18H13BrClN3O
Molecular Weight
402.679
Canonical SMILES
Cn1c(nc2c1c(=O)n(C)c1cc(Br)ccc21)-c1ccccc1Cl
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InChI
InChI=1S/C18H13BrClN3O/c1-22-14-9-10(19)7-8-12(14)15-16(18(22)24)23(2)17(21-15)11-5-3-4-6-13(11)20/h3-9H,1-2H3
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InChIKey
CDYOZYKVTCAZAF-UHFFFAOYSA-N
Physicochemical Property
logP
4.5081
Rotatable Bonds
1
Heavy Atom Count
24
Polar Areas
39.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 71583756
SID: 163635809
ChEMBL ID
CHEMBL2348048
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 > 10000 nM
   TI
   LI
   LO
   TS