COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL378646
Chemical Name: 2-[(4-{(E)-[3-(4-bromo-3-chlorophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-iodo-6-methoxyphenoxy)methyl]benzonitrile
Smiles: COc1cc(/C=C\2/SC(=S)N(C2=O)c2ccc(c(c2)Cl)Br)cc(c1OCc1ccccc1C#N)I

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Molecular Weight: 697.8
Empirical Formula: C25H15BrClIN2O3S2

Physical State: Dry powder
Available Amount: 691 mg

Lipinsky:
logP: 7.578
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 119
Number of rings: 4

     

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