COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150209
Chemical Name: (4E)-4-[hydroxy(4-methylphenyl)methylidene]-5-(3-nitrophenyl)-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Smiles: Cc1ccc(cc1)/C(=C\1/C(c2cccc(c2)[N+](=O)[O-])N(C(=O)C1=O)c1scnn1)/O

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Molecular Weight: 422.42
Empirical Formula: C20H14N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.514
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 157
Number of rings: 4

     

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