COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL428357
Chemical Name: (5E)-3-cyclohexyl-5-{4-[(2-nitrobenzyl)oxy]benzylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2ccc(cc2)OCc2ccccc2[N+](=O)[O-])/C(=O)N1C1CCCCC1

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Molecular Weight: 454.57
Empirical Formula: C23H22N2O4S2

Physical State: Dry powder
Available Amount: 242 mg

Lipinsky:
logP: 5.259
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 132
Number of rings: 4

     

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