COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK670411
Chemical Name: 2-{[2-hydroxy-3-(octylsulfonyl)propyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Smiles: CCCCCCCCS(=O)(=O)CC(CSc1nc(cc(c1C#N)C(F)(F)F)c1cccs1)O

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Molecular Weight: 520.66
Empirical Formula: C22H27F3N2O3S3

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 7.349
Rotatable bonds: 14
H-donors: 1
H-acceptors: 3
PSA: 152
Number of rings: 2

     

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