COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK840836
Chemical Name: 7-(4-fluorobenzyl)-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1ccc(cc1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)[N+](=O)[O-]

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Molecular Weight: 333.28
Empirical Formula: C14H12FN5O4

Physical State: Dry powder
Available Amount: 319 mg

Lipinsky:
logP: 0.768
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 104
Number of rings: 3

     

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