COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK236402
Chemical Name: N,N-dimethyl-3-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]propan-1-aminium
Smiles: C[NH+](CCCOc1nc2c(n1C)c(=O)n(c(=O)n2C)C)C

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Saltdata: CI-
Molecular Weight: 296.35
Empirical Formula: C13H22N5O3

Physical State: Dry powder
Available Amount: 247 mg

Lipinsky:
logP: 1.131
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 72
Number of rings: 2

     

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