General Information of the Compound
Compound ID
CP0514255
Compound Name
2-(2-chloro-6-fluorophenyl)-7-(2-methylphenyl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one
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Structure
Formula
C23H15ClFN3O
Molecular Weight
403.844
Canonical SMILES
Cc1ccccc1-c1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1c(F)cccc1Cl
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InChI
InChI=1S/C23H15ClFN3O/c1-12-5-2-3-6-14(12)13-9-10-15-18(11-13)26-23(29)21-20(15)27-22(28-21)19-16(24)7-4-8-17(19)25/h2-11H,1H3,(H,26,29)(H,27,28)
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InChIKey
FTNFWJGKFMEIIN-UHFFFAOYSA-N
Physicochemical Property
logP
5.83932
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
61.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 71659753
ChEMBL ID
CHEMBL2387504
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 = 9.9 nM
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