COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040826
Chemical Name: (5E)-1-benzyl-2,6-dioxo-5-{1-[(pyridinium-3-ylmethyl)amino]propylidene}-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)[O-])/NCc1ccc[nH+]c1

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Molecular Weight: 364.4
Empirical Formula: C20H20N4O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.771
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 98
Number of rings: 3

     

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