COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053519
Chemical Name: [4-(1,3-benzothiazol-3-ium-2-ylacetyl)-2-ethyl-5-hydroxyphenoxy]acetate
Smiles: CCc1cc(C(=O)Cc2sc3c([nH+]2)cccc3)c(cc1OCC(=O)[O-])O

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Molecular Weight: 371.41
Empirical Formula: C19H17NO5S

Physical State: Dry powder
Available Amount: 208 mg

Lipinsky:
logP: 4.575
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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