COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041100
Chemical Name: methyl2-{(3E)-2-(3-chlorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: COC(=O)c1sc(nc1C)N1C(c2cccc(c2)Cl)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

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Molecular Weight: 526.95
Empirical Formula: C25H19ClN2O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.766
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 143
Number of rings: 5

     

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