COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL419187
Chemical Name: (5E)-3-(3,4-dimethylphenyl)-5-(3-iodo-5-methoxy-4-propoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCOc1c(I)cc(cc1OC)/C=C\1/SC(=S)N(C1=O)c1ccc(c(c1)C)C

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Molecular Weight: 539.46
Empirical Formula: C22H22INO3S2

Physical State: Dry powder
Available Amount: 187 mg

Lipinsky:
logP: 7.192
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 96
Number of rings: 3

     

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