COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL005486
Chemical Name: 8-[(3-hydroxypropyl)sulfanyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCCSc1nc2c(n1Cc1ccc(cc1)C)c(=O)n(c(=O)n2C)C

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Molecular Weight: 374.46
Empirical Formula: C18H22N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.166
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 3

     

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