COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK643027
Chemical Name: ethyl2-[(6-hydroxy-3,7-dimethyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate
Smiles: CCOC(=O)C(Sc1nc2c(n1C)c(O)nc(=O)n2C)C

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Molecular Weight: 312.35
Empirical Formula: C12H16N4O4S

Physical State: Dry powder
Available Amount: 151 mg

Lipinsky:
logP: 1.259
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 122
Number of rings: 2

     

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