General Information of the Compound
Compound ID
CP0405722
Compound Name
4-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide
    Show/Hide
Synonyms
820961-59-9
AKOS030577991
BDBM50157674
Benzamide, 4-chloro-N-(4,6-diphenyl-2-pyrimidinyl)-
CHEMBL376034
CTK3E2649
DTXSID20458923
N-(4,6-diphenylpyrimidin-2-yl)-4-chlorobenzamide
    Show/Hide
Structure
Formula
C23H16ClN3O
Molecular Weight
385.854
Canonical SMILES
Clc1ccc(cc1)C(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C23H16ClN3O/c24-19-13-11-18(12-14-19)22(28)27-23-25-20(16-7-3-1-4-8-16)15-21(26-23)17-9-5-2-6-10-17/h1-15H,(H,25,26,27,28)
    Show/Hide
InChIKey
GXFPQKORTZOVLZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.7163
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11211335
SID: 16293837
ChEMBL ID
CHEMBL376034
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: PT01279, Adenosine receptor A3
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 3280 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-(4,6-diphenylpyrimidin-2-yl)-4-chlorobenzamide )
Drug Name N-(4,6-diphenylpyrimidin-2-yl)-4-chlorobenzamide
Target(s)
Adenosine A3 receptor (ADORA3)
 Target Info 
Inhibitor