General Information of the Compound
Compound ID
CP0443793
Compound Name
N-(2-pyridin-2-ylquinazolin-4-yl)benzamide
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Structure
Formula
C20H14N4O
Molecular Weight
326.359
Canonical SMILES
O=C(Nc1nc(nc2ccccc12)-c1ccccn1)c1ccccc1
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InChI
InChI=1S/C20H14N4O/c25-20(14-8-2-1-3-9-14)24-18-15-10-4-5-11-16(15)22-19(23-18)17-12-6-7-13-21-17/h1-13H,(H,22,23,24,25)
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InChIKey
JQMAQOJNNLVOTP-UHFFFAOYSA-N
Physicochemical Property
logP
3.9441
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
67.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 13382931
ChEMBL ID
CHEMBL424259
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 = 230 nM
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