General Information of the Compound
Compound ID
CP0374983
Compound Name
2-(2-chlorophenyl)-7-(furan-2-yl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one
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Structure
Formula
C20H12ClN3O2
Molecular Weight
361.788
Canonical SMILES
Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccco1
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InChI
InChI=1S/C20H12ClN3O2/c21-14-5-2-1-4-12(14)19-23-17-13-8-7-11(16-6-3-9-26-16)10-15(13)22-20(25)18(17)24-19/h1-10H,(H,22,25)(H,23,24)
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InChIKey
HEDJFFINYDHRNV-UHFFFAOYSA-N
Physicochemical Property
logP
4.9848
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
74.68
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 71659615
ChEMBL ID
CHEMBL2387604
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 = 22 nM
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