COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056856
Chemical Name: (5E)-1-(3-chloro-4-methylphenyl)-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)N1c1ccc(c(c1)Cl)C

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Molecular Weight: 370.79
Empirical Formula: C18H15ClN4O3

Physical State: Dry powder
Available Amount: 330 mg

Lipinsky:
logP: 1.665
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 98
Number of rings: 3

     

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