COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148077
Chemical Name: 5-[{2,6-dihydroxy-4-oxo-1-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-5-yl}(pyridinium-4-yl)methyl]-2,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: Oc1nc(=O)c(c(n1c1cccc(c1)C(F)(F)F)O)C(c1c([O-])[nH]c(=O)n(c1=O)c1cccc(c1)C(F)(F)F)c1cc[nH+]cc1

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Molecular Weight: 633.46
Empirical Formula: C28H17F6N5O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.907
Rotatable bonds: 4
H-donors: 4
H-acceptors: 6
PSA: 159
Number of rings: 5

     

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