COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK793247
Chemical Name: 2-{3-nitro-5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide
Smiles: NC(=O)Cn1nc(nc1Sc1nc2c(n1C)c(=O)n(c(=O)n2C)C)[N+](=O)[O-]

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Molecular Weight: 395.36
Empirical Formula: C12H13N9O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.005
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 203
Number of rings: 3

     

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