General Information of the Compound
Compound ID
CP0475341
Compound Name
N-[4,6-bis(4-acetylphenyl)pyridin-2-yl]acetamide
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Structure
Formula
C23H20N2O3
Molecular Weight
372.424
Canonical SMILES
CC(=O)Nc1cc(cc(n1)-c1ccc(cc1)C(C)=O)-c1ccc(cc1)C(C)=O
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InChI
InChI=1S/C23H20N2O3/c1-14(26)17-4-8-19(9-5-17)21-12-22(25-23(13-21)24-16(3)28)20-10-6-18(7-11-20)15(2)27/h4-13H,1-3H3,(H,24,25,28)
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InChIKey
GYSXGTIBQXAKRQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.7792
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
76.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 137661769
ChEMBL ID
CHEMBL4097170
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
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 7.2 nM
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