COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003073
Chemical Name: 3-methyl-7-{2-methyl-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCC1)CSc1nnnn1c1ccccc1

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Molecular Weight: 467.55
Empirical Formula: C21H25N9O2S

Available Amount: 0 mg

Lipinsky:
logP: 2.675
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 139
Number of rings: 5

     

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