COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK002315
Chemical Name: (5E)-5-(4-{3-[4-(butan-2-yl)phenoxy]propoxy}-3-chloro-5-ethoxybenzylidene)-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: C=CCN1C(=S)S/C(=C/c2cc(Cl)c(c(c2)OCC)OCCCOc2ccc(cc2)C(CC)C)/C1=O

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Molecular Weight: 546.15
Empirical Formula: C28H32ClNO4S2

Physical State: Liquid
Available Amount: 100 mg

Lipinsky:
logP: 7.875
Rotatable bonds: 11
H-donors: 0
H-acceptors: 4
PSA: 105
Number of rings: 3

     

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