COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK834834
Chemical Name: 7-benzyl-8-bromo-1-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C(=C/Cn1c(=O)n(C)c2c(c1=O)n(Cc1ccccc1)c(n2)Br)/Cl

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Molecular Weight: 423.7
Empirical Formula: C17H16BrClN4O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.294
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 58
Number of rings: 3

     

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