COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK020798
Chemical Name: pentyl[8-bromo-7-(4-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate
Smiles: CCCCCOC(=O)Cn1c(=O)n(C)c2c(c1=O)n(Cc1ccc(cc1)Cl)c(n2)Br

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Molecular Weight: 497.78
Empirical Formula: C20H22BrClN4O4

Physical State: Dry powder
Available Amount: 145 mg

Lipinsky:
logP: 6.078
Rotatable bonds: 8
H-donors: 0
H-acceptors: 4
PSA: 84
Number of rings: 3

     

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