COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042915
Chemical Name: ethyl2-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-(4-methoxyphenyl)-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)/C1c1ccc(cc1)OC

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Molecular Weight: 536.56
Empirical Formula: C27H24N2O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.618
Rotatable bonds: 5
H-donors: 1
H-acceptors: 8
PSA: 152
Number of rings: 5

     

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