COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039728
Chemical Name: 7-(3-bromobenzyl)-8-{[2-(diethylamino)ethyl]amino}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCN(CCNc1nc2c(n1Cc1cccc(c1)Br)c(O)nc(=O)n2C)CC

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Molecular Weight: 449.35
Empirical Formula: C19H25BrN6O2

Physical State: Dry powder
Available Amount: 319 mg

Lipinsky:
logP: 2.834
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 85
Number of rings: 3

     

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