General Information of the Compound
Compound ID
CP0448459
Compound Name
4-(4-Hydroxy-5-methyl-thiazol-2-yl)-benzenesulfonamide
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Structure
Formula
C10H10N2O3S2
Molecular Weight
270.335
Canonical SMILES
Cc1sc(nc1O)-c1ccc(cc1)S(N)(=O)=O
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InChI
InChI=1S/C10H10N2O3S2/c1-6-9(13)12-10(16-6)7-2-4-8(5-3-7)17(11,14)15/h2-5,13H,1H3,(H2,11,14,15)
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InChIKey
KIKHSRBZGMKBIJ-UHFFFAOYSA-N
Physicochemical Property
logP
1.47152
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
93.28
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
17

"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: 15691771
ChEMBL ID
CHEMBL66772
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 = 2200 nM
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