COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK812495
Chemical Name: ethyl4-[({[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCCCOc1ccc(cc1)c1nc(SCC(=O)Nc2ccc(cc2)C(=O)OCC)c(c(c1)C(F)(F)F)C#N

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Molecular Weight: 557.59
Empirical Formula: C28H26F3N3O4S

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 8.461
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 126
Number of rings: 3

     

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