COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK536532
Chemical Name: 3-cyano-4-(4-fluorophenyl)-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-1,4,5,6-tetrahydropyridine-2-thiolate
Smiles: N#CC1=C([S-])NC(=O)C(C1c1ccc(cc1)F)[n+]1ccc(cc1)c1ccncc1

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Molecular Weight: 402.45
Empirical Formula: C22H15FN4OS

Physical State: Dry powder
Available Amount: 259 mg

Lipinsky:
logP: -0.303
Rotatable bonds: 0
H-donors: 1
H-acceptors: 1
PSA: 69
Number of rings: 4

     

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