COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK684455
Chemical Name: 8-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Nc1nc(CSc2nc3c(n2Cc2ccccc2Cl)c(=O)n(c(=O)n3C)C)nc(n1)N1CCCCC1

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Molecular Weight: 528.04
Empirical Formula: C23H26ClN9O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.647
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 151
Number of rings: 5

     

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