COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148869
Chemical Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Smiles: Cc1ccc(o1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1nc2c(s1)cc(cc2C)C)/O

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Molecular Weight: 489.51
Empirical Formula: C25H19N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.36
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 157
Number of rings: 5

     

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