General Information of the Compound
Compound ID
CP0151096
Compound Name
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]propanamide
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Structure
Formula
C19H20N4O3
Molecular Weight
352.394
Canonical SMILES
CCC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1
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InChI
InChI=1S/C19H20N4O3/c1-4-18(24)22-12-5-7-13(8-6-12)23-19-14-9-16(25-2)17(26-3)10-15(14)20-11-21-19/h5-11H,4H2,1-3H3,(H,22,24)(H,20,21,23)
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InChIKey
NVWRPIGSBGEKRA-UHFFFAOYSA-N
Physicochemical Property
logP
3.7391
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
85.37
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 56953892
SID: 135666092
ChEMBL ID
CHEMBL2018745
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