COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003291
Chemical Name: 7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)N1CCN(CC1)c1nc2c(n1CCSc1nc(C)cc(n1)C)c(=O)n(c(=O)n2C)C

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Molecular Weight: 536.66
Empirical Formula: C26H32N8O3S

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 2.885
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 125
Number of rings: 5

     

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