COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051422
Chemical Name: (4E)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(3-nitrophenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2cccc(c2)[N+](=O)[O-])/O)/C1c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 457.4
Empirical Formula: C21H19N3O9

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 2.074
Rotatable bonds: 8
H-donors: 2
H-acceptors: 9
PSA: 178
Number of rings: 3

     

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