COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK526344
Chemical Name: (4S,5R)-3-cyano-4-(3-methoxyphenyl)-6-oxo-5-(pyridinium-1-yl)-1,4,5,6-tetrahydropyridin-2-olate
Smiles: N#CC1=C([O-])NC(=O)[C@@H]([C@H]1c1cccc(c1)OC)[n+]1ccccc1

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Molecular Weight: 321.34
Empirical Formula: C18H15N3O3

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: -2.371
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 89
Number of rings: 3

     

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