COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK686513
Chemical Name: 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-[2-(3-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN1CCN(CC1)c1nc2c(n1CC(=O)c1cccc(c1)[N+](=O)[O-])c(=O)n(c(=O)n2C)C

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Molecular Weight: 441.45
Empirical Formula: C20H23N7O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.051
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 127
Number of rings: 4

     

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