General Information of the Compound
Compound ID
CP0113529
Compound Name
2-(4-Dimethylamino-phenyl)-benzothiazol-6-ol
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Structure
Formula
C15H14N2OS
Molecular Weight
270.357
Canonical SMILES
CN(C)c1ccc(cc1)-c1nc2ccc(O)cc2s1
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InChI
InChI=1S/C15H14N2OS/c1-17(2)11-5-3-10(4-6-11)15-16-13-8-7-12(18)9-14(13)19-15/h3-9,18H,1-2H3
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InChIKey
WDXCWXZECJHKRF-UHFFFAOYSA-N
Physicochemical Property
logP
3.7349
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
36.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 10956585
SID: 16011289
ChEMBL ID
CHEMBL91449
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: PT02668, Sulfotransferase 1E1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Km = 1330 nM
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