COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL010449
Chemical Name: [3,9-dimethyl-7-(3-methylbutyl)-6,8-dioxo-6,7,8,9-tetrahydro[1,2,4]triazino[3,4-f]purin-1(4H)-yl]aceticacid
Smiles: CC(CCn1c(=O)n(C)c2c(c1=O)n1CC(=NN(c1n2)CC(=O)O)C)C

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Molecular Weight: 362.39
Empirical Formula: C16H22N6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.258
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 111
Number of rings: 3

     

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