COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL297554
Chemical Name: 3-methyl-8-[(3-phenylpropyl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 356.45
Empirical Formula: C18H20N4O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.081
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 3

     

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