COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL510458
Chemical Name: 1-(5-nitro-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}phenyl)ethanone
Smiles: CC(=O)c1cc(ccc1Sc1nc(cc(n1)C(F)(F)F)c1ccccc1)[N+](=O)[O-]

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Molecular Weight: 419.38
Empirical Formula: C19H12F3N3O3S

Physical State: Dry powder
Available Amount: 271 mg

Lipinsky:
logP: 5.039
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 113
Number of rings: 3

     

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