General Information of the Compound
Compound ID
CP0093334
Compound Name
5-(2-amino-1,3-benzothiazol-6-yl)-N,N-dimethylpyridine-2-carboxamide
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Structure
Formula
C15H14N4OS
Molecular Weight
298.371
Canonical SMILES
CN(C)C(=O)c1ccc(cn1)-c1ccc2nc(N)sc2c1
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InChI
InChI=1S/C15H14N4OS/c1-19(2)14(20)12-6-4-10(8-17-12)9-3-5-11-13(7-9)21-15(16)18-11/h3-8H,1-2H3,(H2,16,18)
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InChIKey
JXJQQOUYDZRLSN-UHFFFAOYSA-N
Physicochemical Property
logP
2.6423
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
72.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 122184479
ChEMBL ID
CHEMBL3600697
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 = 39810.72 nM
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