General Information of the Compound
Compound ID
CP0396682
Compound Name
2-(2-chlorophenyl)-7-(2-phenylethyl)-3,5-dihydroimidazo[4,5-c]quinolin-4-one
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Structure
Formula
C24H18ClN3O
Molecular Weight
399.881
Canonical SMILES
Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(CCc3ccccc3)ccc21
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InChI
InChI=1S/C24H18ClN3O/c25-19-9-5-4-8-17(19)23-27-21-18-13-12-16(11-10-15-6-2-1-3-7-15)14-20(18)26-24(29)22(21)28-23/h1-9,12-14H,10-11H2,(H,26,29)(H,27,28)
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InChIKey
ZSFXNHSRMWAYAN-UHFFFAOYSA-N
Physicochemical Property
logP
5.51
Rotatable Bonds
4
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: 71659611
ChEMBL ID
CHEMBL2387601
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 = 21 nM
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