COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK217402
Chemical Name: (2E)-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-ethenyl-4-oxo-1,3-thiazolidin-2-ylidene][(4-methylphenyl)sulfonyl]ethanenitrile
Smiles: C=Cn1c(=O)/c(=C\c2ccc3c(c2)OCO3)/s/c/1=C(/S(=O)(=O)c1ccc(cc1)C)\C#N

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Molecular Weight: 452.51
Empirical Formula: C22H16N2O5S2

Physical State: Dry powder
Available Amount: 415 mg

Lipinsky:
logP: 3.834
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 130
Number of rings: 4

     

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