COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL006068
Chemical Name: 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN1CCN(CC1)c1nc2c(n1CCSc1nnnn1c1ccccc1)c(=O)n(c(=O)n2C)C

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Molecular Weight: 482.57
Empirical Formula: C21H26N10O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.272
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 133
Number of rings: 5

     

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