COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL380001
Chemical Name: (5Z)-5-[3-iodo-5-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-3-(4-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Smiles: C#CCOc1c(I)cc(cc1OC)/C=C/1\SC(=O)N(C1=O)Cc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 550.33
Empirical Formula: C21H15IN2O6S

Physical State: Dry powder
Available Amount: 524 mg

Lipinsky:
logP: 4.751
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 126
Number of rings: 3

     

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