COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK006805
Chemical Name: 4-{[(2E,5Z)-5-{3-bromo-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoicacid
Smiles: CCOc1cc(/C=C/2\S/C(=N/c3ccc(cc3)C(=O)O)/N(C2=O)C)cc(c1OCc1ccc(cc1)[N+](=O)[O-])Br

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Molecular Weight: 612.46
Empirical Formula: C27H22BrN3O7S

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 6.987
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 159
Number of rings: 4

     

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