COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL024458
Chemical Name: 2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
Smiles: N#Cc1cc(C(=O)c2cccs2)c(nc1SCC(=O)c1ccc(cc1)C)C(F)(F)F

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Molecular Weight: 446.47
Empirical Formula: C21H13F3N2O2S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.696
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 124
Number of rings: 3

     

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