COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK676162
Chemical Name: 7-(3-bromobenzyl)-3-methyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCSc1nc2c(n1Cc1cccc(c1)Br)c(=O)[nH]c(=O)n2C

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Molecular Weight: 479.44
Empirical Formula: C21H27BrN4O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.898
Rotatable bonds: 10
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 3

     

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