General Information of the Compound
Compound ID
CP0534390
Compound Name
5-Phenyl-2-pyridin-4-yl-thiazol-4-ol
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Structure
Formula
C14H10N2OS
Molecular Weight
254.314
Canonical SMILES
Oc1nc(sc1-c1ccccc1)-c1ccncc1
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InChI
InChI=1S/C14H10N2OS/c17-13-12(10-4-2-1-3-5-10)18-14(16-13)11-6-8-15-9-7-11/h1-9,17H
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InChIKey
FAHWFDUZDMPEAA-UHFFFAOYSA-N
Physicochemical Property
logP
3.5777
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
46.01
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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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PubChem ID
CID: 15691789
ChEMBL ID
CHEMBL304075
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 = 540 nM
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