COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK546410
Chemical Name: 3-methyl-2-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoicacid
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)C(C)C

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Molecular Weight: 449.64
Empirical Formula: C23H31NO4S2

Physical State: Dry powder
Available Amount: 350 mg

Lipinsky:
logP: 6.566
Rotatable bonds: 11
H-donors: 1
H-acceptors: 4
PSA: 124
Number of rings: 2

     

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