General Information of the Compound
Compound ID
CP0487720
Compound Name
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-[(1,3- thiazol-4-ylmethyl)oxy]quinazolin-4-amine
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Structure
Formula
C19H14Cl2N4O2S
Molecular Weight
433.32
Canonical SMILES
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1cscn1
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InChI
InChI=1S/C19H14Cl2N4O2S/c1-26-17-5-13-16(6-18(17)27-7-12-8-28-10-24-12)22-9-23-19(13)25-11-2-3-14(20)15(21)4-11/h2-6,8-10H,7H2,1H3,(H,22,23,25)
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InChIKey
SHQICENFGOEXMY-UHFFFAOYSA-N
Physicochemical Property
logP
5.7243
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
69.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
28

"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: 10455540
SID: 15477300
ChEMBL ID
CHEMBL3968322
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: PT01142, Vascular endothelial growth factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 50 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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 50 nM
   TI
   LI
   LO
   TS