COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054155
Chemical Name: 1,3-dimethyl-2,6-dioxo-5-{(1E)-N-[4-(pyridinium-4-ylmethyl)phenyl]propanimidoyl}-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: CC/C(=N\c1ccc(cc1)Cc1cc[nH+]cc1)/c1c([O-])n(C)c(=O)n(c1=O)C

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Molecular Weight: 378.43
Empirical Formula: C21H22N4O3

Physical State: Dry powder
Available Amount: 149 mg

Lipinsky:
logP: 2.329
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 3

     

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