COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK870135
Chemical Name: 3-cyano-4-(2-iodophenyl)-6-oxo-5-(pyridinium-1-yl)-1,4,5,6-tetrahydropyridin-2-olate
Smiles: N#CC1=C([O-])NC(=O)C(C1c1ccccc1I)[n+]1ccccc1

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Molecular Weight: 417.21
Empirical Formula: C17H12IN3O2

Physical State: Dry powder
Available Amount: 67 mg

Lipinsky:
logP: -1.255
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 79
Number of rings: 3

     

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