COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL296004
Chemical Name: 1-(4-bromobenzyl)-8-(4-methoxyphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)Oc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1)Br

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Molecular Weight: 471.31
Empirical Formula: C21H19BrN4O4

Physical State: Dry powder
Available Amount: 198 mg

Lipinsky:
logP: 5.062
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 76
Number of rings: 4

     

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