COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700241
Chemical Name: 8-[(4-chlorobenzyl)sulfanyl]-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCn1c(SCc2ccc(cc2)Cl)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 434.99
Empirical Formula: C21H27ClN4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.721
Rotatable bonds: 9
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 3

     

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