General Information of the Compound
Compound ID
CP0066807
Compound Name
6-phenyl-1,3-benzothiazol-2-amine
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Structure
Formula
C13H10N2S
Molecular Weight
226.304
Canonical SMILES
Nc1nc2ccc(cc2s1)-c1ccccc1
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InChI
InChI=1S/C13H10N2S/c14-13-15-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9/h1-8H,(H2,14,15)
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InChIKey
GIOCFNWQTZDWNE-UHFFFAOYSA-N
Physicochemical Property
logP
3.5455
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
38.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 5109813
ChEMBL ID
CHEMBL97245
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 = 501.19 nM
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