COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700456
Chemical Name: 1-(4-bromobenzyl)-3,7-dimethyl-8-(3-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Brc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)Oc1cccc(c1)C

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Molecular Weight: 455.31
Empirical Formula: C21H19BrN4O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.52
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 67
Number of rings: 4

     

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