General Information of the Compound
Compound ID
CP0537350
Compound Name
1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol
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Formula
C13H9N3OS
Molecular Weight
255.302
Canonical SMILES
Oc1ccc2ccccc2c1\N=N\c1nccs1
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InChI
InChI=1S/C13H9N3OS/c17-11-6-5-9-3-1-2-4-10(9)12(11)15-16-13-14-7-8-18-13/h1-8,17H/b16-15+
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InChIKey
IOMXCGDXEUDZAK-FOCLMDBBSA-N
Physicochemical Property
logP
4.4173
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
57.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
18

"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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ChEMBL ID
CHEMBL2094383
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000700 VCaP Homo sapiens (Human)  1
1
IC50 = 310 nM
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