General Information of the Compound
Compound ID
CP0409032
Compound Name
7-Methoxy-4-(2-phenyl-cyclopropylamino)-quinazolin-6-ol
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Structure
Formula
C18H17N3O2
Molecular Weight
307.353
Canonical SMILES
COc1cc2ncnc(NC3CC3c3ccccc3)c2cc1O
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InChI
InChI=1S/C18H17N3O2/c1-23-17-9-14-13(8-16(17)22)18(20-10-19-14)21-15-7-12(15)11-5-3-2-4-6-11/h2-6,8-10,12,15,22H,7H2,1H3,(H,19,20,21)
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InChIKey
CQIGCEDRWOCRQD-UHFFFAOYSA-N
Physicochemical Property
logP
3.312
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
67.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 44324692
ChEMBL ID
CHEMBL93423
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 = 390 nM
   TI
   LI
   LO
   TS
CL000220 KB Homo sapiens (Human)  1
1
IC50 > 25000 nM
   TI
   LI
   LO
   TS