COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK699993
Chemical Name: 7-dodecyl-3-methyl-8-[(3-phenylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCCCCCn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 484.71
Empirical Formula: C27H40N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.098
Rotatable bonds: 15
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 3

     

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