COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL428770
Chemical Name: [(5E)-5-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]aceticacid
Smiles: OC(=O)CN1C(=S)S/C(=C/c2cc(Br)ccc2OCc2cccc(c2)C)/C1=O

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Molecular Weight: 478.39
Empirical Formula: C20H16BrNO4S2

Physical State: Dry powder
Available Amount: 181 mg

Lipinsky:
logP: 4.889
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 124
Number of rings: 3

     

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