COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK041655
Chemical Name: 2-[(5E)-5-{3-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-1H-isoindole-1,3(2H)-dione
Smiles: COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)N1C(=O)c2c(C1=O)cccc2

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Molecular Weight: 547.57
Empirical Formula: C26H17N3O7S2

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 4.633
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 179
Number of rings: 5

     

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