COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK031468
Chemical Name: 8-bromo-7-(4-chlorobenzyl)-3-methyl-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(=O)n(C)c2c(c1=O)n(Cc1ccc(cc1)Cl)c(n2)Br

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Molecular Weight: 409.67
Empirical Formula: C16H14BrClN4O2

Physical State: Dry powder
Available Amount: 398 mg

Lipinsky:
logP: 4.68
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 58
Number of rings: 3

     

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