COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK984066
Chemical Name: 1,3-dimethyl-7-(4-nitrobenzyl)-8-(pentylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCNc1nc2c(n1Cc1ccc(cc1)[N+](=O)[O-])c(=O)n(c(=O)n2C)C

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Molecular Weight: 400.44
Empirical Formula: C19H24N6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.761
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 3

     

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