General Information of the Compound
Compound ID
CP0458463
Compound Name
2-(4-Fluoro-phenyl)-5-phenyl-thiazol-4-ol
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Structure
Formula
C15H10FNOS
Molecular Weight
271.316
Canonical SMILES
Oc1nc(sc1-c1ccccc1)-c1ccc(F)cc1
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InChI
InChI=1S/C15H10FNOS/c16-12-8-6-11(7-9-12)15-17-14(18)13(19-15)10-4-2-1-3-5-10/h1-9,18H
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InChIKey
KUOOEYKNEXFFMB-UHFFFAOYSA-N
Physicochemical Property
logP
4.3218
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
33.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 15691787
ChEMBL ID
CHEMBL68429
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 = 500 nM
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