COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053041
Chemical Name: (5E)-2,6-dioxo-1-(prop-2-en-1-yl)-5-{1-[(pyridinium-3-ylmethyl)amino]propylidene}-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: C=CCN1C(=O)N=C(/C(=C(\NCc2ccc[nH+]c2)/CC)/C1=O)[O-]

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Molecular Weight: 314.34
Empirical Formula: C16H18N4O3

Physical State: Dry powder
Available Amount: 257 mg

Lipinsky:
logP: 0.807
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 98
Number of rings: 2

     

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