General Information of the Compound
Compound ID
CP0864261
Compound Name
N-(4-((6,7-Dimethoxyquinazolin-4-yl)oxy)-2-methoxyphenyl)-2-(1-ethyl-1H-pyrazol-4-yl)acetamide
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Structure
Formula
C24H25N5O5
Molecular Weight
463.494
Canonical SMILES
CCn1cc(CC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2OC)cn1
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InChI
InChI=1S/C24H25N5O5/c1-5-29-13-15(12-27-29)8-23(30)28-18-7-6-16(9-20(18)31-2)34-24-17-10-21(32-3)22(33-4)11-19(17)25-14-26-24/h6-7,9-14H,5,8H2,1-4H3,(H,28,30)
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InChIKey
HNKKFVLARZPRAU-UHFFFAOYSA-N
Physicochemical Property
logP
3.8455
Rotatable Bonds
9
Heavy Atom Count
34
Polar Areas
109.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Complexity
34

"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: 145971916
ChEMBL ID
CHEMBL4217362
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: PT00888, Mast/stem cell growth factor receptor Kit
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  3
1
GI50 = 78 nM
   TI
   LI
   LO
   TS
2
GI50 = 86 nM
   TI
   LI
   LO
   TS
3
GI50 = 251 nM
   TI
   LI
   LO
   TS
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
GI50 = 2551 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
GI50 > 10000 nM
   TI
   LI
   LO
   TS