COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK085750
Chemical Name: 3-cyano-4-[4-(dimethylamino)phenyl]-6-oxo-5-(pyridinium-1-yl)-1,4,5,6-tetrahydropyridin-2-olate
Smiles: N#CC1=C([O-])NC(=O)C(C1c1ccc(cc1)N(C)C)[n+]1ccccc1

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Molecular Weight: 334.38
Empirical Formula: C19H18N4O2

Physical State: Dry powder
Available Amount: 276 mg

Lipinsky:
logP: -2.177
Rotatable bonds: 0
H-donors: 1
H-acceptors: 2
PSA: 83
Number of rings: 3

     

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