COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054210
Chemical Name: ethyl2-{(3E)-2-[3-(benzyloxy)phenyl]-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)/C1c1cccc(c1)OCc1ccccc1

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Molecular Weight: 612.66
Empirical Formula: C33H28N2O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.273
Rotatable bonds: 8
H-donors: 1
H-acceptors: 8
PSA: 152
Number of rings: 6

     

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