COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050066
Chemical Name: ethyl2-{(3E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-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)/C1c1cc(Br)c(c(c1)OC)O

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Molecular Weight: 631.46
Empirical Formula: C27H23BrN2O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.779
Rotatable bonds: 8
H-donors: 2
H-acceptors: 9
PSA: 172
Number of rings: 5

     

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