General Information of the Compound
Compound ID
CP0396681
Compound Name
2-(2-chlorophenyl)-7-hexyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one
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Structure
Formula
C22H22ClN3O
Molecular Weight
379.891
Canonical SMILES
CCCCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl
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InChI
InChI=1S/C22H22ClN3O/c1-2-3-4-5-8-14-11-12-16-18(13-14)24-22(27)20-19(16)25-21(26-20)15-9-6-7-10-17(15)23/h6-7,9-13H,2-5,8H2,1H3,(H,24,27)(H,25,26)
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InChIKey
RCYUPGBXIPSPFZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.8476
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
61.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 71659494
ChEMBL ID
CHEMBL2387598
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 = 70 nM
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