COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK567061
Chemical Name: prop-2-en-1-yl2-{(3E)-2-(3,4-diethoxyphenyl)-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(c2ccc(c(c2)OCC)OCC)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

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Molecular Weight: 606.65
Empirical Formula: C31H30N2O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.798
Rotatable bonds: 11
H-donors: 1
H-acceptors: 9
PSA: 161
Number of rings: 5

     

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