COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL032647
Chemical Name: 6-[(5E)-5-{4-[(4-methylbenzyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoicacid
Smiles: OC(=O)CCCCCN1C(=S)S/C(=C/c2ccc(cc2)OCc2ccc(cc2)C)/C1=O

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Molecular Weight: 455.6
Empirical Formula: C24H25NO4S2

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 4.482
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 124
Number of rings: 3

     

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