COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK020099
Chemical Name: 3-cyano-4-[4-(diethylamino)phenyl]-6-oxo-5-(pyridinium-1-yl)-1,4,5,6-tetrahydropyridin-2-olate
Smiles: CCN(c1ccc(cc1)C1C(C(=O)NC(=C1C#N)[O-])[n+]1ccccc1)CC

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Molecular Weight: 362.43
Empirical Formula: C21H22N4O2

Physical State: Dry powder
Available Amount: 199 mg

Lipinsky:
logP: -1.114
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 83
Number of rings: 3

     

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