COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK082829
Chemical Name: 3-methyl-8-{(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C(=N\Nc1nc2c(n1CCc1ccccc1)c(=O)[nH]c(=O)n2C)/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 447.45
Empirical Formula: C22H21N7O4

Physical State: Dry powder
Available Amount: 359 mg

Lipinsky:
logP: 3.531
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 137
Number of rings: 4

     

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