COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054948
Chemical Name: methyl4-{(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy(3-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2cccc(c2)[N+](=O)[O-])/O)/C1c1ccc(cc1)C(=O)OC

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Molecular Weight: 470.44
Empirical Formula: C23H22N2O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.321
Rotatable bonds: 9
H-donors: 2
H-acceptors: 9
PSA: 159
Number of rings: 3

     

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