General Information of the Compound
Compound ID
CP0233769
Compound Name
6-methoxy-7-(2-quinolin-2-ylethoxy)quinazoline
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Structure
Formula
C20H17N3O2
Molecular Weight
331.375
Canonical SMILES
COc1cc2cncnc2cc1OCCc1ccc2ccccc2n1
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InChI
InChI=1S/C20H17N3O2/c1-24-19-10-15-12-21-13-22-18(15)11-20(19)25-9-8-16-7-6-14-4-2-3-5-17(14)23-16/h2-7,10-13H,8-9H2,1H3
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InChIKey
REIGRVDNVZOVDL-UHFFFAOYSA-N
Physicochemical Property
logP
3.8081
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
57.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 24945787
SID: 56243477
ChEMBL ID
CHEMBL1738857
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: PT02512, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 17 nM
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