COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL388082
Chemical Name: methyl4-{(4Z)-4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl}benzoate
Smiles: COC(=O)c1ccc(cc1)N1NC(=O)/C(=C/c2ccc(o2)[N+](=O)[O-])/C1=O

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Molecular Weight: 357.28
Empirical Formula: C16H11N3O7

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 2.343
Rotatable bonds: 2
H-donors: 1
H-acceptors: 7
PSA: 134
Number of rings: 3

     

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