COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150797
Chemical Name: methyl4-{(3E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C(=O)OC)/C(=C(/c2ccccc2)\O)/C(=O)C1=O

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Molecular Weight: 514.56
Empirical Formula: C28H22N2O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.053
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 134
Number of rings: 5

     

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