COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK006610
Chemical Name: 4-methylmorpholin-4-ium4-benzyl-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinoline-2-thiolate
Smiles: C[NH+]1CCOCC1.N#CC1=C([S-])NC2=C(C1Cc1ccccc1)C(=O)CCC2

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Molecular Weight: 397.54
Empirical Formula: C22H27N3O2S

Physical State: Dry powder
Available Amount: 287 mg

Lipinsky:
logP: 0
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 66
Number of rings: 4

     

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