COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051889
Chemical Name: ethyl2-{(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(c(c1)OCC)OCCC(C)C

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Molecular Weight: 636.72
Empirical Formula: C33H36N2O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.912
Rotatable bonds: 12
H-donors: 1
H-acceptors: 9
PSA: 161
Number of rings: 5

     

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