COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK157956
Chemical Name: (2E,5E)-5-{2-bromo-5-methoxy-4-[(3-nitrobenzyl)oxy]benzylidene}-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one
Smiles: COc1cc(/C=C\2/S/C(=N/c3ccc(cc3)OC)/NC2=O)c(cc1OCc1cccc(c1)[N+](=O)[O-])Br

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Molecular Weight: 570.42
Empirical Formula: C25H20BrN3O6S

Physical State: Dry powder
Available Amount: 392 mg

Lipinsky:
logP: 4.584
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 140
Number of rings: 4

     

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