COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045745
Chemical Name: N-{[3,7-dimethyl-2,6-dioxo-1-(2-{[(3,4,5-trimethoxyphenyl)carbonyl]oxy}ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}-N-ethylethanaminium
Smiles: CC[NH+](Cc1nc2c(n1C)c(=O)n(c(=O)n2C)CCOC(=O)c1cc(OC)c(c(c1)OC)OC)CC

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Saltdata: 3-COOH(C5H4N)
Molecular Weight: 504.56
Empirical Formula: C24H34N5O7

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 1.935
Rotatable bonds: 10
H-donors: 1
H-acceptors: 7
PSA: 116
Number of rings: 3

     

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