COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK152241
Chemical Name: methyl[(5E)-5-{3-bromo-4-[(2-cyanobenzyl)oxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Smiles: COC(=O)CN1C(=O)S/C(=C/c2ccc(c(c2)Br)OCc2ccccc2C#N)/C1=O

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Molecular Weight: 487.33
Empirical Formula: C21H15BrN2O5S

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 4.34
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 122
Number of rings: 3

     

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