General Information of the Compound
Compound ID
CP0545307
Compound Name
4-(4-bromophenoxy)-2-phenylquinazoline
    Show/Hide
Structure
Formula
C20H13BrN2O
Molecular Weight
377.241
Canonical SMILES
Brc1ccc(Oc2nc(nc3ccccc23)-c2ccccc2)cc1
    Show/Hide
InChI
InChI=1S/C20H13BrN2O/c21-15-10-12-16(13-11-15)24-20-17-8-4-5-9-18(17)22-19(23-20)14-6-2-1-3-7-14/h1-13H
    Show/Hide
InChIKey
HJOUDBMAJAOYQJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.8516
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
35.01
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 155521906
ChEMBL ID
CHEMBL4451576
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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000036 MDCK-II Canis lupus familiaris (Dog)  1
1
IC50 = 7270 nM
   TI
   LI
   LO
   TS