COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK528370
Chemical Name: 8-(azepan-1-yl)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Brc1cccc(c1)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCCC1

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Molecular Weight: 432.32
Empirical Formula: C19H22BrN5O2

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.263
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 70
Number of rings: 4

     

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