COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038790
Chemical Name: 4-{(3E)-2-(2,4-dimethoxyphenyl)-3-[hydroxy(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}butanoicacid
Smiles: COc1ccc(c(c1)OC)C1/C(=C(/c2ccc(cc2)[N+](=O)[O-])\O)/C(=O)C(=O)N1CCCC(=O)O

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Molecular Weight: 470.44
Empirical Formula: C23H22N2O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.569
Rotatable bonds: 9
H-donors: 2
H-acceptors: 9
PSA: 159
Number of rings: 3

     

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