COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147227
Chemical Name: 4-[7-(2-hydroxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazin-1-ium
Smiles: OCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CC[NH2+]CC1

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Saltdata: m-(C5H4N)COOH
Molecular Weight: 295.32
Empirical Formula: C12H19N6O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -1.982
Rotatable bonds: 3
H-donors: 4
H-acceptors: 3
PSA: 107
Number of rings: 3

     

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