General Information of the Compound
Compound ID
CP0507476
Compound Name
N-hydroxy-2-(4-hydroxy-2-phenyl-1,3-thiazol-5-yl)-N-methylacetamide
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Structure
Formula
C12H12N2O3S
Molecular Weight
264.306
Canonical SMILES
CN(O)C(=O)Cc1sc(nc1O)-c1ccccc1
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InChI
InChI=1S/C12H12N2O3S/c1-14(17)10(15)7-9-11(16)13-12(18-9)8-5-3-2-4-6-8/h2-6,16-17H,7H2,1H3
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InChIKey
ZMBCTJSNJCCIHG-UHFFFAOYSA-N
Physicochemical Property
logP
1.9058
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
73.66
Hydrogen Bond Donor Count
2
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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PubChem ID
CID: 15691786
ChEMBL ID
CHEMBL69661
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 = 4400 nM
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