General Information of the Compound
Compound ID
CP0396679
Compound Name
7-butyl-2-(2-chlorophenyl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one
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Structure
Formula
C20H18ClN3O
Molecular Weight
351.837
Canonical SMILES
CCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl
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InChI
InChI=1S/C20H18ClN3O/c1-2-3-6-12-9-10-14-16(11-12)22-20(25)18-17(14)23-19(24-18)13-7-4-5-8-15(13)21/h4-5,7-11H,2-3,6H2,1H3,(H,22,25)(H,23,24)
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InChIKey
FPXKRKAWESOZII-UHFFFAOYSA-N
Physicochemical Property
logP
5.0674
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
61.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 71659492
ChEMBL ID
CHEMBL2387596
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 = 17 nM
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