COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL035753
Chemical Name: 4-methyl-2-[(5E)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]pentanoicacid
Smiles: COc1cc(/C=C\2/SC(=S)N(C2=O)C(C(=O)O)CC(C)C)cc(c1OC)OC

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Molecular Weight: 425.53
Empirical Formula: C19H23NO6S2

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 3.022
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 142
Number of rings: 2

     

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