COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL296006
Chemical Name: 7-(4-bromobenzyl)-8-(3,4-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Brc1ccc(cc1)Cn1c(Oc2ccc(c(c2)C)C)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 469.34
Empirical Formula: C22H21BrN4O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.981
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 67
Number of rings: 4

     

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