COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK640876
Chemical Name: 6-hydroxy-7-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-2H-purin-2-one
Smiles: OC(c1ccc(cc1)[N+](=O)[O-])Cn1c(nc2c1c(O)nc(=O)n2C)N1CCOCC1

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Molecular Weight: 416.39
Empirical Formula: C18H20N6O6

Physical State: Dry powder
Available Amount: 123 mg

Lipinsky:
logP: -0.804
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 149
Number of rings: 4

     

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