COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041559
Chemical Name: methyl2-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-(3-ethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: CCOc1cccc(c1)C1N(c2nc(c(s2)C(=O)OC)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

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Molecular Weight: 536.56
Empirical Formula: C27H24N2O8S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 4.618
Rotatable bonds: 7
H-donors: 1
H-acceptors: 8
PSA: 152
Number of rings: 5

     

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