COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL071405
Chemical Name: 4-[(5E)-5-{2-[(4-methylbenzyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoicacid
Smiles: OC(=O)CCCN1C(=S)S/C(=C/c2ccccc2OCc2ccc(cc2)C)/C1=O

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Molecular Weight: 427.55
Empirical Formula: C22H21NO4S2

Physical State: Dry powder
Available Amount: 54 mg

Lipinsky:
logP: 4.012
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 124
Number of rings: 3

     

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