General Information of the Compound
Compound ID
CP0482027
Compound Name
methyl N-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate
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Structure
Formula
C19H20N4O4
Molecular Weight
368.393
Canonical SMILES
COC(=O)Nc1cc(Nc2ncnc3cc(OC)c(OC)cc23)ccc1C
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InChI
InChI=1S/C19H20N4O4/c1-11-5-6-12(7-14(11)23-19(24)27-4)22-18-13-8-16(25-2)17(26-3)9-15(13)20-10-21-18/h5-10H,1-4H3,(H,23,24)(H,20,21,22)
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InChIKey
ZQHKLPSJKXUYOU-UHFFFAOYSA-N
Physicochemical Property
logP
3.87732
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
94.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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).

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PubChem ID
CID: 56954135
SID: 135666337
ChEMBL ID
CHEMBL2018761
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 = 7200 nM
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