General Information of the Compound
Compound ID
CP0396680
Compound Name
2-(2-chlorophenyl)-7-pentyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one
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Structure
Formula
C21H20ClN3O
Molecular Weight
365.864
Canonical SMILES
CCCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl
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InChI
InChI=1S/C21H20ClN3O/c1-2-3-4-7-13-10-11-15-17(12-13)23-21(26)19-18(15)24-20(25-19)14-8-5-6-9-16(14)22/h5-6,8-12H,2-4,7H2,1H3,(H,23,26)(H,24,25)
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InChIKey
JULNGCZCLLQCAU-UHFFFAOYSA-N
Physicochemical Property
logP
5.4575
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
61.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 71659493
ChEMBL ID
CHEMBL2387597
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 = 53 nM
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