COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK678995
Chemical Name: 1,3-dimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(c1ccccc1)Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 503.52
Empirical Formula: C25H25N7O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.986
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 127
Number of rings: 5

     

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