COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040767
Chemical Name: prop-2-en-1-yl2-{(3E)-2-[4-(benzyloxy)-3-ethoxyphenyl]-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: C=CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(c(c1)OCC)OCc1ccccc1

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Molecular Weight: 668.72
Empirical Formula: C36H32N2O9S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.922
Rotatable bonds: 11
H-donors: 1
H-acceptors: 9
PSA: 161
Number of rings: 6

     

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