COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK834409
Chemical Name: 7-(3-bromobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Brc1cccc(c1)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)n1nc(cc1C)C

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Molecular Weight: 429.28
Empirical Formula: C18H17BrN6O2

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.039
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 85
Number of rings: 4

     

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