COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK813267
Chemical Name: (5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCOc1ccc(cc1[N+](=O)[O-])c1nn(c(c1)/C=C\1/SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC)c1ccccc1

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Molecular Weight: 616.72
Empirical Formula: C31H28N4O6S2

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 5.596
Rotatable bonds: 9
H-donors: 0
H-acceptors: 6
PSA: 169
Number of rings: 5

     

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