COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK997320
Chemical Name: N-(2-nitrophenyl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccccc1[N+](=O)[O-])CSc1nc2c(n1C)c(=O)n(c(=O)n2C)C

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Molecular Weight: 404.41
Empirical Formula: C16H16N6O5S

Physical State: Dry powder
Available Amount: 260 mg

Lipinsky:
logP: 2.263
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 158
Number of rings: 3

     

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