COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK846750
Chemical Name: (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Smiles: Fc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2cccs2)/O)/C1c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 481.48
Empirical Formula: C22H12FN3O5S2

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 5.226
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 172
Number of rings: 5

     

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