COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK861906
Chemical Name: (5Z)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2cccc(c2)[N+](=O)[O-])/C(=O)N1c1c(C)n(n(c1=O)c1ccccc1)C

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Molecular Weight: 452.51
Empirical Formula: C21H16N4O4S2

Physical State: Dry powder
Available Amount: 402 mg

Lipinsky:
logP: 2.973
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 147
Number of rings: 4

     

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