General Information of the Compound
Compound ID
CP0376865
Compound Name
2-(2-isoquinolin-7-yloxyethyl)quinoline
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Structure
Formula
C20H16N2O
Molecular Weight
300.361
Canonical SMILES
C(Cc1ccc2ccccc2n1)Oc1ccc2ccncc2c1
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InChI
InChI=1S/C20H16N2O/c1-2-4-20-16(3-1)5-7-18(22-20)10-12-23-19-8-6-15-9-11-21-14-17(15)13-19/h1-9,11,13-14H,10,12H2
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InChIKey
RPAPWIFTZCSMEY-UHFFFAOYSA-N
Physicochemical Property
logP
4.4045
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
35.01
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 24946059
SID: 56243771
ChEMBL ID
CHEMBL1819133
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 = 809 nM
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