COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK552053
Chemical Name: 3-methyl-2-[(5Z)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]butanoicacid
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)C(C(=O)O)C(C)C)cc(c1OC)OC

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Molecular Weight: 411.5
Empirical Formula: C18H21NO6S2

Physical State: Dry powder
Available Amount: 350 mg

Lipinsky:
logP: 2.491
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 142
Number of rings: 2

     

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