General Information of the Compound
Compound ID
CP0061222
Compound Name
N-(2,6-dimethylphenyl)-2-phenylquinoline-4-carboxamide
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Structure
Formula
C24H20N2O
Molecular Weight
352.437
Canonical SMILES
Cc1cccc(C)c1NC(=O)c1cc(nc2ccccc12)-c1ccccc1
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InChI
InChI=1S/C24H20N2O/c1-16-9-8-10-17(2)23(16)26-24(27)20-15-22(18-11-4-3-5-12-18)25-21-14-7-6-13-19(20)21/h3-15H,1-2H3,(H,26,27)
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InChIKey
AKCQWCNDUPKMFE-UHFFFAOYSA-N
Physicochemical Property
logP
5.77094
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 1351369
ChEMBL ID
CHEMBL3741710
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: PT01534, Prostaglandin E2 receptor EP4 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 128 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 512 nM