COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041686
Chemical Name: [(3E)-3-[hydroxy(4-nitrophenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]aceticacid
Smiles: OC(=O)CN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc(cc2)[N+](=O)[O-])\O)/C(=O)C1=O

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Molecular Weight: 427.33
Empirical Formula: C19H13N3O9

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 2.366
Rotatable bonds: 5
H-donors: 2
H-acceptors: 9
PSA: 186
Number of rings: 3

     

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