COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK047101
Chemical Name: (5E)-5-(2-{2-[4-(butan-2-yl)phenoxy]ethoxy}-5-nitrobenzylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCC(c1ccc(cc1)OCCOc1ccc(cc1/C=C\1/SC(=S)N(C1=O)C)[N+](=O)[O-])C

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Molecular Weight: 472.59
Empirical Formula: C23H24N2O5S2

Physical State: Dry powder
Available Amount: 128 mg

Lipinsky:
logP: 5.487
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 141
Number of rings: 3

     

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