COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK117887
Chemical Name: 3-[(5E)-5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoicacid
Smiles: CCCCOc1ccc(cc1OC)/C=C\1/SC(=S)N(C1=O)c1cccc(c1)C(=O)O

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Molecular Weight: 443.54
Empirical Formula: C22H21NO5S2

Physical State: Dry powder
Available Amount: 411 mg

Lipinsky:
logP: 5.554
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 133
Number of rings: 3

     

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