COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK743055
Chemical Name: 3-{[(2E,5Z)-5-(3-bromo-4-methoxybenzylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoicacid
Smiles: CCN1/C(=N\c2cccc(c2)C(=O)O)/S/C(=C\c2ccc(c(c2)Br)OC)/C1=O

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Molecular Weight: 461.34
Empirical Formula: C20H17BrN2O4S

Physical State: Dry powder
Available Amount: 952 mg

Lipinsky:
logP: 5.29
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 104
Number of rings: 3

     

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