COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK126343
Chemical Name: 3-({(2Z,5E)-5-[4-(dimethylamino)-3-nitrobenzylidene]-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)[N+](=O)[O-])N(C)C)/C1=O

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Molecular Weight: 440.48
Empirical Formula: C21H20N4O5S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 5.173
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 144
Number of rings: 3

     

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