COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK525040
Chemical Name: (4R,5R,6S)-3-cyano-2-(cyanoamino)-6-hydroxy-4-phenyl-5-(pyridinium-1-yl)-6-(thiophen-2-yl)piperidin-2-ide
Smiles: N#CC1[C-](NC#N)N[C@@]([C@@H]([C@H]1c1ccccc1)[n+]1ccccc1)(O)c1cccs1

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Molecular Weight: 401.49
Empirical Formula: C22H19N5OS

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 0
Rotatable bonds: 1
H-donors: 3
H-acceptors: 1
PSA: 123
Number of rings: 4

     

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