General Information of the Compound
Compound ID
CP0534428
Compound Name
2-(4-Methoxy-phenyl)-5-methyl-thiazol-4-ol
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Structure
Formula
C11H11NO2S
Molecular Weight
221.281
Canonical SMILES
COc1ccc(cc1)-c1nc(O)c(C)s1
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InChI
InChI=1S/C11H11NO2S/c1-7-10(13)12-11(15-7)8-3-5-9(14-2)6-4-8/h3-6,13H,1-2H3
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InChIKey
KZUNEZDWOCAYAB-UHFFFAOYSA-N
Physicochemical Property
logP
2.83272
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
42.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 15691813
ChEMBL ID
CHEMBL307215
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 1100 nM
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