COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK540133
Chemical Name: 8-{[2-(diethylamino)ethyl]amino}-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(CCNc1nc2c(n1CC(COc1ccc(cc1)[N+](=O)[O-])O)c(=O)[nH]c(=O)n2C)CC

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Molecular Weight: 475.5
Empirical Formula: C21H29N7O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.938
Rotatable bonds: 9
H-donors: 3
H-acceptors: 6
PSA: 157
Number of rings: 3

     

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