General Information of the Compound
Compound ID
CP0092897
Compound Name
1-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-3-ethylurea
    Show/Hide
Structure
Formula
C19H21N5O3
Molecular Weight
367.409
Canonical SMILES
CCNC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1
    Show/Hide
InChI
InChI=1S/C19H21N5O3/c1-4-20-19(25)24-13-7-5-12(6-8-13)23-18-14-9-16(26-2)17(27-3)10-15(14)21-11-22-18/h5-11H,4H2,1-3H3,(H2,20,24,25)(H,21,22,23)
    Show/Hide
InChIKey
YNCKOZXQTQUWHF-UHFFFAOYSA-N
Physicochemical Property
logP
3.532
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
97.4
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 56954232
SID: 135666437
ChEMBL ID
CHEMBL2016600
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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS