COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL325851
Chemical Name: 7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)C)COc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 459.46
Empirical Formula: C20H25N7O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.339
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 148
Number of rings: 4

     

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