General Information of the Compound
Compound ID
CP0554903
Compound Name
1-(2-Methoxy-phenyl)-3-(2-phenyl-quinazolin-4-yl)-urea
    Show/Hide
Structure
Formula
C22H18N4O2
Molecular Weight
370.412
Canonical SMILES
COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C22H18N4O2/c1-28-19-14-8-7-13-18(19)24-22(27)26-21-16-11-5-6-12-17(16)23-20(25-21)15-9-3-2-4-10-15/h2-14H,1H3,(H2,23,24,25,26,27)
    Show/Hide
InChIKey
LAQSJOKUMHQITR-UHFFFAOYSA-N
Physicochemical Property
logP
4.9494
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
76.14
Hydrogen Bond Donor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 10690524
SID: 15724362
ChEMBL ID
CHEMBL308087
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 = 87300 nM
   TI
   LI
   LO
   TS