COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048172
Chemical Name: prop-2-en-1-yl2-{(3E)-2-(4-butoxy-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: CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OCC=C

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Molecular Weight: 634.71
Empirical Formula: C33H34N2O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.861
Rotatable bonds: 13
H-donors: 1
H-acceptors: 9
PSA: 161
Number of rings: 5

     

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