COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL328652
Chemical Name: 1-tert-butyl-5-[(1-tert-butyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridinium-4-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: O=c1[nH]c(=O)n(c(c1C(c1c([O-])[nH]c(=O)n(c1=O)C(C)(C)C)c1cc[nH+]cc1)O)C(C)(C)C

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Molecular Weight: 457.49
Empirical Formula: C22H27N5O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.549
Rotatable bonds: 3
H-donors: 4
H-acceptors: 6
PSA: 156
Number of rings: 3

     

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