General Information of the Compound
Compound ID
CP0864260
Compound Name
2-(4-(6,7-dimethoxyquinazolin-4-yloxy)-2-methoxyphenyl)-N-(1-isopropyl-1H-pyrazol-4-yl)acetamide
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Structure
Formula
C25H27N5O5
Molecular Weight
477.521
Canonical SMILES
COc1cc(Oc2ncnc3cc(OC)c(OC)cc23)ccc1CC(=O)Nc1cnn(C(C)C)c1
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InChI
InChI=1S/C25H27N5O5/c1-15(2)30-13-17(12-28-30)29-24(31)8-16-6-7-18(9-21(16)32-3)35-25-19-10-22(33-4)23(34-5)11-20(19)26-14-27-25/h6-7,9-15H,8H2,1-5H3,(H,29,31)
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InChIKey
INYIBEJMXPAZLV-UHFFFAOYSA-N
Physicochemical Property
logP
4.4065
Rotatable Bonds
9
Heavy Atom Count
35
Polar Areas
109.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Complexity
35

"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: 134814266
ChEMBL ID
CHEMBL4212563
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 = 8 nM
   TI
   LI
   LO
   TS
2
GI50 = 12 nM
   TI
   LI
   LO
   TS
3
GI50 = 26 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 = 442 nM
   TI
   LI
   LO
   TS