General Information of the Compound
Compound ID
CP0530353
Compound Name
4-Methoxy-N-(2-phenyl-quinazolin-4-yl)-benzamide
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Structure
Formula
C22H17N3O2
Molecular Weight
355.397
Canonical SMILES
COc1ccc(cc1)C(=O)Nc1nc(nc2ccccc12)-c1ccccc1
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InChI
InChI=1S/C22H17N3O2/c1-27-17-13-11-16(12-14-17)22(26)25-21-18-9-5-6-10-19(18)23-20(24-21)15-7-3-2-4-8-15/h2-14H,1H3,(H,23,24,25,26)
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InChIKey
ZUTYPECGIONURA-UHFFFAOYSA-N
Physicochemical Property
logP
4.5577
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
64.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 10594353
SID: 15623520
ChEMBL ID
CHEMBL167627
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 = 27 nM
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