COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055180
Chemical Name: methyl2-{(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: CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC

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Molecular Weight: 642.69
Empirical Formula: C34H30N2O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.095
Rotatable bonds: 9
H-donors: 1
H-acceptors: 9
PSA: 161
Number of rings: 6

     

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