COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK525101
Chemical Name: 5-[(S)-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl](pyridinium-4-yl)methyl]-1-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: Cc1ccccc1n1c(=O)[nH]c(=O)c(c1O)[C@@H](c1c([O-])[nH]c(=O)n(c1=O)c1ccccc1C)c1cc[nH+]cc1

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Molecular Weight: 525.52
Empirical Formula: C28H23N5O6

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 2.673
Rotatable bonds: 3
H-donors: 4
H-acceptors: 6
PSA: 156
Number of rings: 5

     

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