COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK041868
Chemical Name: [(5E)-5-(3-ethoxy-4-{[(3-nitrophenyl)carbonyl]oxy}benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]aceticacid
Smiles: CCOc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)CC(=O)O

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Molecular Weight: 488.5
Empirical Formula: C21H16N2O8S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.477
Rotatable bonds: 9
H-donors: 1
H-acceptors: 8
PSA: 196
Number of rings: 3

     

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