General Information of the Compound
Compound ID
CP0433646
Compound Name
2-(2-chlorophenyl)-7-pyridin-4-yl-3,5-dihydroimidazo[4,5-c]quinolin-4-one
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Structure
Formula
C21H13ClN4O
Molecular Weight
372.815
Canonical SMILES
Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccncc1
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InChI
InChI=1S/C21H13ClN4O/c22-16-4-2-1-3-14(16)20-25-18-15-6-5-13(12-7-9-23-10-8-12)11-17(15)24-21(27)19(18)26-20/h1-11H,(H,24,27)(H,25,26)
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InChIKey
FUSNGHKYBLQGJW-UHFFFAOYSA-N
Physicochemical Property
logP
4.7868
Rotatable Bonds
2
Heavy Atom Count
27
Polar Areas
74.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 71659752
ChEMBL ID
CHEMBL2387606
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 = 1128 nM
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