COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL006399
Chemical Name: ethyl4-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
Smiles: CCOC(=O)CC(=O)CSc1nc(cc(c1C#N)C(F)(F)F)c1ccc2c(c1)OCO2

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Molecular Weight: 452.41
Empirical Formula: C20H15F3N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.647
Rotatable bonds: 8
H-donors: 0
H-acceptors: 5
PSA: 123
Number of rings: 3

     

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