COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK822474
Chemical Name: (5Z)-3-(2-ethylhexyl)-5-(4-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCC(CN1C(=S)S/C(=C\c2ccc(cc2)[N+](=O)[O-])/C1=O)CC

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Molecular Weight: 378.52
Empirical Formula: C18H22N2O3S2

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 5.182
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 123
Number of rings: 2

     

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