COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149357
Chemical Name: methyl2-[(7-dodecyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate
Smiles: CCCCCCCCCCCCn1c(SC(C(=O)OC)C)nc2c1c(O)nc(=O)n2C

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Molecular Weight: 452.62
Empirical Formula: C22H36N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.572
Rotatable bonds: 16
H-donors: 1
H-acceptors: 4
PSA: 122
Number of rings: 2

     

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