General Information of the Compound
Compound ID
CP0855257
Compound Name
N-(4-((6,7-Dimethoxyquinazolin-4-yl)oxy)phenyl)-2-(4-isopropyl-1H-1,2,3-triazol-1-yl)acetamide
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Structure
Formula
C23H24N6O4
Molecular Weight
448.483
Canonical SMILES
COc1cc2ncnc(Oc3ccc(NC(=O)Cn4cc(C(C)C)nn4)cc3)c2cc1OC
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InChI
InChI=1S/C23H24N6O4/c1-14(2)19-11-29(28-27-19)12-22(30)26-15-5-7-16(8-6-15)33-23-17-9-20(31-3)21(32-4)10-18(17)24-13-25-23/h5-11,13-14H,12H2,1-4H3,(H,26,30)
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InChIKey
VOSCKXNNVDOPMN-UHFFFAOYSA-N
Physicochemical Property
logP
3.7929
Rotatable Bonds
8
Heavy Atom Count
33
Polar Areas
113.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
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: 134814268
ChEMBL ID
CHEMBL4214769
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 = 3 nM
   TI
   LI
   LO
   TS
2
GI50 = 17 nM
   TI
   LI
   LO
   TS
3
GI50 = 19 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 = 612 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