COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL361055
Chemical Name: ethyl2-{[3-cyano-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
Smiles: CCOC(=O)C(C(=O)C)Sc1nc(c(cc1C#N)C(=O)c1cccs1)C(F)(F)F

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Molecular Weight: 442.44
Empirical Formula: C18H13F3N2O4S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.46
Rotatable bonds: 8
H-donors: 0
H-acceptors: 4
PSA: 150
Number of rings: 2

     

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