COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL343106
Chemical Name: 8-(4-benzylpiperidin-1-yl)-7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1cc(C)nc(n1)SCCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCC(CC1)Cc1ccccc1

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Molecular Weight: 519.67
Empirical Formula: C27H33N7O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.873
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 112
Number of rings: 5

     

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