COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK556730
Chemical Name: 8-bromo-7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1cc(ccc1OC)C(=O)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C

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Molecular Weight: 437.25
Empirical Formula: C17H17BrN4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.116
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 93
Number of rings: 3

     

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