COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK839997
Chemical Name: 7-ethyl-1,3-dimethyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 358.42
Empirical Formula: C17H18N4O3S

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 3.35
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 100
Number of rings: 3

     

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