COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK842706
Chemical Name: 6-tert-butyl-2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile
Smiles: COc1cc(ccc1OC)C(=O)CSc1nc(cc(c1C#N)C(F)(F)F)C(C)(C)C

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Molecular Weight: 438.47
Empirical Formula: C21H21F3N2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.984
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 97
Number of rings: 2

     

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