COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL006998
Chemical Name: 2-[(5Z)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]pentanoicacid
Smiles: CCCC(N1C(=S)S/C(=C\c2cc(OC)c(c(c2)OC)OC)/C1=O)C(=O)O

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Molecular Weight: 411.5
Empirical Formula: C18H21NO6S2

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 2.675
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 142
Number of rings: 2

     

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