COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL379668
Chemical Name: (5E)-3-(1,3-benzodioxol-5-yl)-5-{4-[(4-chlorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cc(ccc1OCc1ccc(cc1)Cl)/C=C\1/SC(=S)N(C1=O)c1ccc2c(c1)OCO2

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Molecular Weight: 512.01
Empirical Formula: C25H18ClNO5S2

Physical State: Dry powder
Available Amount: 1230 mg

Lipinsky:
logP: 6.396
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 114
Number of rings: 5

     

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