COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK529376
Chemical Name: 7-hexadecyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCCCCCCCCCn1c(SCC(=O)C)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 478.7
Empirical Formula: C25H42N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.366
Rotatable bonds: 18
H-donors: 1
H-acceptors: 3
PSA: 109
Number of rings: 2

     

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