COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565005
Chemical Name: (4E)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Smiles: Fc1ccc(cc1)/C(=C\1/C(c2cccc(c2)[N+](=O)[O-])N(C(=O)C1=O)c1sc(c(n1)C)C)/O

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Molecular Weight: 453.45
Empirical Formula: C22H16FN3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.637
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 144
Number of rings: 4

     

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