COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051319
Chemical Name: (5E)-1-cycloheptyl-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: O=C1N=C([O-])/C(=C\NCc2ccc[nH+]c2)/C(=O)N1C1CCCCCC1

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Molecular Weight: 342.4
Empirical Formula: C18H22N4O3

Physical State: Dry powder
Available Amount: 188 mg

Lipinsky:
logP: 1.481
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 98
Number of rings: 3

     

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