General Information of the Compound
Compound ID
CP0066815
Compound Name
4-(2-amino-1,3-benzothiazol-6-yl)-1-(2-methoxyethoxy)pyridin-2-one
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Structure
Formula
C15H15N3O3S
Molecular Weight
317.37
Canonical SMILES
COCCOn1ccc(cc1=O)-c1ccc2nc(N)sc2c1
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InChI
InChI=1S/C15H15N3O3S/c1-20-6-7-21-18-5-4-11(9-14(18)19)10-2-3-12-13(8-10)22-15(16)17-12/h2-5,8-9H,6-7H2,1H3,(H2,16,17)
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InChIKey
NGFSDGZRDDWBJG-UHFFFAOYSA-N
Physicochemical Property
logP
1.7822
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
79.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
22

"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: 122184539
ChEMBL ID
CHEMBL3600780
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: PT01034, Phosphatidylinositol 4-kinase beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 10000 nM
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