COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK793246
Chemical Name: 1,3,7-trimethyl-8-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1nc(nc1Sc1nc2c(n1C)c(=O)n(c(=O)n2C)C)[N+](=O)[O-]

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Molecular Weight: 352.33
Empirical Formula: C11H12N8O4S

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 1.317
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 160
Number of rings: 3

     

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