General Information of the Compound
Compound ID
CP0864215
Compound Name
N-(4-(6-hydroxybenzo[d]thiazol-2-yl)phenyl)acetamide
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Structure
Formula
C15H12N2O2S
Molecular Weight
284.34
Canonical SMILES
CC(=O)Nc1ccc(-c2nc3ccc(O)cc3s2)cc1
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InChI
InChI=1S/C15H12N2O2S/c1-9(18)16-11-4-2-10(3-5-11)15-17-13-7-6-12(19)8-14(13)20-15/h2-8,19H,1H3,(H,16,18)
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InChIKey
QEEIHQGEPSKXFB-UHFFFAOYSA-N
Physicochemical Property
logP
3.6273
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
62.22
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 155543185
ChEMBL ID
CHEMBL4525617
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: PT04359, Sulfotransferase 1A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 100 nM
   TI
   LI
   LO
   TS
Protein ID: PT02668, Sulfotransferase 1E1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Km = 2360 nM
   TI
   LI
   LO
   TS