General Information of the Compound
Compound ID
CP0154374
Compound Name
5-(2-amino-1,3-benzothiazol-6-yl)-N-methylpyridine-2-carboxamide
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Structure
Formula
C14H12N4OS
Molecular Weight
284.344
Canonical SMILES
CNC(=O)c1ccc(cn1)-c1ccc2nc(N)sc2c1
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InChI
InChI=1S/C14H12N4OS/c1-16-13(19)11-5-3-9(7-17-11)8-2-4-10-12(6-8)20-14(15)18-10/h2-7H,1H3,(H2,15,18)(H,16,19)
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InChIKey
HLYCMIUSQBLQAY-UHFFFAOYSA-N
Physicochemical Property
logP
2.3001
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
80.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 122184478
ChEMBL ID
CHEMBL3600696
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 = 2511.89 nM
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