COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK101576
Chemical Name: methyl4-({(2E,5E)-5-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoate
Smiles: CCN1/C(=N\c2ccc(cc2)C(=O)OC)/S/C(=C/c2cc(Br)c(c(c2)OC)OCc2ccccc2)/C1=O

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Molecular Weight: 581.49
Empirical Formula: C28H25BrN2O5S

Physical State: Dry powder
Available Amount: 295 mg

Lipinsky:
logP: 7.559
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 102
Number of rings: 4

     

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