General Information of the Compound
Compound ID
CP0462071
Compound Name
N-(4,6-diphenylpyridin-2-yl)acetamide
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Structure
Formula
C19H16N2O
Molecular Weight
288.35
Canonical SMILES
CC(=O)Nc1cc(cc(n1)-c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C19H16N2O/c1-14(22)20-19-13-17(15-8-4-2-5-9-15)12-18(21-19)16-10-6-3-7-11-16/h2-13H,1H3,(H,20,21,22)
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InChIKey
YONZAMMGYHBDPZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.374
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 137660466
ChEMBL ID
CHEMBL4099480
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: PT00840, Adenosine receptor A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 21.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT01278, Adenosine receptor A2b
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 51.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 98.5 nM
   TI
   LI
   LO
   TS