COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700230
Chemical Name: 3-methyl-7-octyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 414.57
Empirical Formula: C22H30N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.542
Rotatable bonds: 10
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 3

     

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