General Information of the Compound
Compound ID
CP0132005
Compound Name
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide
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Structure
Formula
C24H25N5O4
Molecular Weight
447.495
Canonical SMILES
COc1cc2ncnc(Oc3ccc(CC(=O)Nc4cnn(c4)C(C)C)cc3)c2cc1OC
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InChI
InChI=1S/C24H25N5O4/c1-15(2)29-13-17(12-27-29)28-23(30)9-16-5-7-18(8-6-16)33-24-19-10-21(31-3)22(32-4)11-20(19)25-14-26-24/h5-8,10-15H,9H2,1-4H3,(H,28,30)
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InChIKey
TWYCZJMOEMMCGC-UHFFFAOYSA-N
Physicochemical Property
logP
4.3979
Rotatable Bonds
8
Heavy Atom Count
33
Polar Areas
100.39
Hydrogen Bond Donor Count
1
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: 11517980
SID: 16619923
ChEMBL ID
CHEMBL1940274
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 = 4 nM
   TI
   LI
   LO
   TS
2
GI50 = 12 nM
   TI
   LI
   LO
   TS
3
GI50 = 70 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 = 93 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 8 nM
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