General Information of the Compound
Compound ID
CP0451324
Compound Name
4-Methoxy-N-(6-phenyl-pyridin-2-yl)-benzamide
    Show/Hide
Structure
Formula
C19H16N2O2
Molecular Weight
304.349
Canonical SMILES
COc1ccc(cc1)C(=O)Nc1cccc(n1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C19H16N2O2/c1-23-16-12-10-15(11-13-16)19(22)21-18-9-5-8-17(20-18)14-6-3-2-4-7-14/h2-13H,1H3,(H,20,21,22)
    Show/Hide
InChIKey
XWWNOQZWPBTPLO-UHFFFAOYSA-N
Physicochemical Property
logP
4.0095
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
51.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 10566417
SID: 15594282
ChEMBL ID
CHEMBL164276
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 = 8700 nM
   TI
   LI
   LO
   TS