General Information of the Compound
Compound ID
CP0504005
Compound Name
7-methoxy-6-(2-morpholin-4-ylethoxy)-N-(2-phenylcyclopropyl)quinazolin-4-amine
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Structure
Formula
C24H28N4O3
Molecular Weight
420.513
Canonical SMILES
COc1cc2ncnc(NC3CC3c3ccccc3)c2cc1OCCN1CCOCC1
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InChI
InChI=1S/C24H28N4O3/c1-29-22-15-20-19(14-23(22)31-12-9-28-7-10-30-11-8-28)24(26-16-25-20)27-21-13-18(21)17-5-3-2-4-6-17/h2-6,14-16,18,21H,7-13H2,1H3,(H,25,26,27)
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InChIKey
JTPOSZWOSHLBFK-UHFFFAOYSA-N
Physicochemical Property
logP
3.3174
Rotatable Bonds
8
Heavy Atom Count
31
Polar Areas
68.74
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
31

"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: 44324869
ChEMBL ID
CHEMBL420059
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 = 300 nM
   TI
   LI
   LO
   TS
CL000220 KB Homo sapiens (Human)  1
1
IC50 = 570 nM
   TI
   LI
   LO
   TS