COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL428640
Chemical Name: {(5E)-5-[4-(diethylamino)-2-{2-[(3-nitrophenyl)amino]-2-oxoethoxy}benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}aceticacid
Smiles: CCN(c1ccc(c(c1)OCC(=O)Nc1cccc(c1)[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)CC(=O)O)CC

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Molecular Weight: 544.61
Empirical Formula: C24H24N4O7S2

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 4.217
Rotatable bonds: 9
H-donors: 2
H-acceptors: 7
PSA: 202
Number of rings: 3

     

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