General Information of the Compound
Compound ID
CP0383138
Compound Name
3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methoxyphenol
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Structure
Formula
C17H17N3O4
Molecular Weight
327.34
Canonical SMILES
COc1cc2ncnc(Nc3cccc(O)c3OC)c2cc1OC
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InChI
InChI=1S/C17H17N3O4/c1-22-14-7-10-12(8-15(14)23-2)18-9-19-17(10)20-11-5-4-6-13(21)16(11)24-3/h4-9,21H,1-3H3,(H,18,19,20)
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InChIKey
CLPNWGPVYWCTAU-UHFFFAOYSA-N
Physicochemical Property
logP
3.1048
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
85.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
24

"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: 118112055
ChEMBL ID
CHEMBL3775660
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: PT00864, Vascular endothelial growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 10000 nM
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