COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL035355
Chemical Name: 2-({3-[(5Z)-5-(3-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoicacid
Smiles: O=C(Nc1ccccc1C(=O)O)CCN1C(=S)S/C(=C\c2cccc(c2)Br)/C1=O

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Molecular Weight: 491.39
Empirical Formula: C20H15BrN2O4S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.672
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 144
Number of rings: 3

     

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