General Information of the Compound
Compound ID
CP0268719
Compound Name
methyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
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Structure
Formula
C18H18N4O4
Molecular Weight
354.366
Canonical SMILES
COC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1
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InChI
InChI=1S/C18H18N4O4/c1-24-15-8-13-14(9-16(15)25-2)19-10-20-17(13)21-11-4-6-12(7-5-11)22-18(23)26-3/h4-10H,1-3H3,(H,22,23)(H,19,20,21)
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InChIKey
HNEAOQOOUVUUJR-UHFFFAOYSA-N
Physicochemical Property
logP
3.5689
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
94.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 46209503
SID: 96063767
ChEMBL ID
CHEMBL1761929
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 = 6900 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6900 nM