COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK011009
Chemical Name: 3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-5-(pyridinium-1-yl)-1,4,5,6-tetrahydropyridin-2-olate
Smiles: N#CC1=C([O-])NC(=O)C(C1c1ccc(c(c1)OC)O)[n+]1ccccc1

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Molecular Weight: 337.33
Empirical Formula: C18H15N3O4

Physical State: Dry powder
Available Amount: 155 mg

Lipinsky:
logP: -3.318
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 109
Number of rings: 3

     

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