COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL334645
Chemical Name: 7-hexyl-3-methyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)[N+](=O)[O-]

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Molecular Weight: 295.3
Empirical Formula: C12H17N5O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.886
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 113
Number of rings: 2

     

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