General Information of the Compound
Compound ID
CP0491791
Compound Name
2-(2-chlorophenyl)-7-methyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one
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Structure
Formula
C17H12ClN3O
Molecular Weight
309.756
Canonical SMILES
Cc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl
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InChI
InChI=1S/C17H12ClN3O/c1-9-6-7-11-13(8-9)19-17(22)15-14(11)20-16(21-15)10-4-2-3-5-12(10)18/h2-8H,1H3,(H,19,22)(H,20,21)
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InChIKey
JCWUZABSZGZYPB-UHFFFAOYSA-N
Physicochemical Property
logP
4.03322
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
61.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 71659490
ChEMBL ID
CHEMBL2387593
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 = 241 nM
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