General Information of the Compound
Compound ID
CP0405723
Compound Name
N-(2,6-diphenylpyrimidin-4-yl)-4-methoxybenzamide
    Show/Hide
Structure
Formula
C24H19N3O2
Molecular Weight
381.435
Canonical SMILES
COc1ccc(cc1)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C24H19N3O2/c1-29-20-14-12-19(13-15-20)24(28)27-22-16-21(17-8-4-2-5-9-17)25-23(26-22)18-10-6-3-7-11-18/h2-16H,1H3,(H,25,26,27,28)
    Show/Hide
InChIKey
MBENQPPTPPATJL-UHFFFAOYSA-N
Physicochemical Property
logP
5.0715
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
64.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11164926
SID: 16244429
ChEMBL ID
CHEMBL222383
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1170 nM
   TI
   LI
   LO
   TS