General Information of the Compound
Compound ID
CP0534849
Compound Name
7-Methoxy-quinazoline
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Structure
Formula
C9H8N2O
Molecular Weight
160.176
Canonical SMILES
COc1ccc2cncnc2c1
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InChI
InChI=1S/C9H8N2O/c1-12-8-3-2-7-5-10-6-11-9(7)4-8/h2-6H,1H3
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InChIKey
CHRMMMLUWHPZAH-UHFFFAOYSA-N
Physicochemical Property
logP
1.6384
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
35.01
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
12

"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: 12213273
ChEMBL ID
CHEMBL300491
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 = 10 nM
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