General Information of the Compound
Compound ID
CP0505842
Compound Name
2-(3-Fluoro-phenyl)-5-methyl-thiazol-4-ol
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Structure
Formula
C10H8FNOS
Molecular Weight
209.245
Canonical SMILES
Cc1sc(nc1O)-c1cccc(F)c1
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InChI
InChI=1S/C10H8FNOS/c1-6-9(13)12-10(14-6)7-3-2-4-8(11)5-7/h2-5,13H,1H3
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InChIKey
HOJAGPLRUJISEA-UHFFFAOYSA-N
Physicochemical Property
logP
2.96322
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
33.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 15691816
ChEMBL ID
CHEMBL68105
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 = 660 nM
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