COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK835093
Chemical Name: 8-bromo-3-methyl-7-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: [O-][N+](=O)c1ccc(cc1)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 380.16
Empirical Formula: C13H10BrN5O4

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 2.278
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 113
Number of rings: 3

     

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