COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK926418
Chemical Name: 2-[(5E)-5-{2-[(4-chlorobenzyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoicacid
Smiles: CCC(N1C(=S)S/C(=C/c2ccccc2OCc2ccc(cc2)Cl)/C1=O)C(=O)O

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Molecular Weight: 447.96
Empirical Formula: C21H18ClNO4S2

Physical State: Dry powder
Available Amount: 49 mg

Lipinsky:
logP: 4.81
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 124
Number of rings: 3

     

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