COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK812636
Chemical Name: ethyl{[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate
Smiles: CCCCOc1ccc(cc1)c1nc(SCC(=O)OCC)c(c(c1)C(F)(F)F)C#N

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Molecular Weight: 438.47
Empirical Formula: C21H21F3N2O3S

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 6.364
Rotatable bonds: 8
H-donors: 0
H-acceptors: 3
PSA: 97
Number of rings: 2

     

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