COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK034380
Chemical Name: 1-(2-oxo-2-phenylethyl)-6-(2-{[4-(propan-2-yl)phenyl]sulfonyl}ethyl)-1,2-dihydropyridiniumbromide
Smiles: CC(c1ccc(cc1)S(=O)(=O)CCC1=CC=CC[NH+]1CC(=O)c1ccccc1)C.[Br-]

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Molecular Weight: 490.46
Empirical Formula: C24H28BrNO3S

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 64
Number of rings: 3

     

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