COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL321090
Chemical Name: 7-{(2E)-2-[2-(2,4-dinitrophenyl)hydrazinylidene]ethyl}-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: [O-][N+](=O)c1cc(ccc1N/N=C/Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCC1)[N+](=O)[O-]

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Molecular Weight: 471.43
Empirical Formula: C19H21N9O6

Available Amount: 0 mg

Lipinsky:
logP: 2.899
Rotatable bonds: 2
H-donors: 2
H-acceptors: 6
PSA: 186
Number of rings: 4

     

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