COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL347898
Chemical Name: 1,3-dimethyl-7-(4-nitrophenyl)-8-(1-phenylethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: [O-][N+](=O)c1ccc(cc1)c1cn2c(n1C(c1ccccc1)C)nc1c2c(=O)n(C)c(=O)n1C

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Molecular Weight: 444.45
Empirical Formula: C23H20N6O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.498
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 108
Number of rings: 5

     

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