COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK840843
Chemical Name: 1,3-dimethyl-8-nitro-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: [O-][N+](=O)c1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C

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Molecular Weight: 329.32
Empirical Formula: C15H15N5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.132
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 104
Number of rings: 3

     

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