COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK054745
Chemical Name: 7-butyl-8-[(4-chlorobenzyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCn1c(SCc2ccc(cc2)Cl)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 378.88
Empirical Formula: C17H19ClN4O2S

Physical State: Dry powder
Available Amount: 419 mg

Lipinsky:
logP: 4.596
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 3

     

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