COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK585133
Chemical Name: methyl4-{(3E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Smiles: COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C

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Molecular Weight: 534.55
Empirical Formula: C27H22N2O8S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 3.618
Rotatable bonds: 4
H-donors: 1
H-acceptors: 8
PSA: 160
Number of rings: 5

     

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