General Information of the Compound
Compound ID
CP0322654
Compound Name
methyl N-[2-chloro-4-[[7-[2-(diethylamino)ethoxy]-6-methoxyquinazolin-4-yl]amino]phenyl]carbamate
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Structure
Formula
C23H28ClN5O4
Molecular Weight
473.961
Canonical SMILES
CCN(CC)CCOc1cc2ncnc(Nc3ccc(NC(=O)OC)c(Cl)c3)c2cc1OC
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InChI
InChI=1S/C23H28ClN5O4/c1-5-29(6-2)9-10-33-21-13-19-16(12-20(21)31-3)22(26-14-25-19)27-15-7-8-18(17(24)11-15)28-23(30)32-4/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,28,30)(H,25,26,27)
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InChIKey
ZAXLRWMFXIVAJB-UHFFFAOYSA-N
Physicochemical Property
logP
4.9343
Rotatable Bonds
10
Heavy Atom Count
33
Polar Areas
97.84
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
33

"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: 56954324
SID: 135666535
ChEMBL ID
CHEMBL2018768
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 > 10000 nM
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   LI
   LO
   TS