COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053491
Chemical Name: (4E)-4-[hydroxy(4-nitrophenyl)methylidene]-5-(3-nitrophenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Smiles: O=C1N(c2nccs2)C(/C(=C(/c2ccc(cc2)[N+](=O)[O-])\O)/C1=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 452.4
Empirical Formula: C20H12N4O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.486
Rotatable bonds: 2
H-donors: 1
H-acceptors: 7
PSA: 190
Number of rings: 4

     

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