COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL008146
Chemical Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCN1CCN(CC1)c1nc2c(n1CCSc1nnnn1c1ccccc1)c(=O)[nH]c(=O)n2C

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Molecular Weight: 498.57
Empirical Formula: C21H26N10O3S

Available Amount: 0 mg

Lipinsky:
logP: 1.295
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 162
Number of rings: 5

     

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