COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL032648
Chemical Name: 3-[(5Z)-5-{3-[(4-methylbenzyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoicacid
Smiles: OC(=O)CCN1C(=S)S/C(=C\c2cccc(c2)OCc2ccc(cc2)C)/C1=O

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Molecular Weight: 413.52
Empirical Formula: C21H19NO4S2

Physical State: Dry powder
Available Amount: 49 mg

Lipinsky:
logP: 3.765
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 124
Number of rings: 3

     

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