COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK099198
Chemical Name: 4-methylmorpholin-4-ium4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridine-2-thiolate
Smiles: C[NH+]1CCOCC1.N#CC1=C([S-])NC(=O)CC1c1ccc(cc1)Br

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Molecular Weight: 410.33
Empirical Formula: C17H20BrN3O2S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 0
Rotatable bonds: 0
H-donors: 2
H-acceptors: 2
PSA: 66
Number of rings: 3

     

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