COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL339039
Chemical Name: 1,3-dimethyl-7-(4-nitrobenzyl)-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: [O-][N+](=O)c1ccc(cc1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCC1

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Molecular Weight: 398.42
Empirical Formula: C19H22N6O4

Physical State: Dry powder
Available Amount: 285 mg

Lipinsky:
logP: 2.367
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 107
Number of rings: 4

     

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