COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL321015
Chemical Name: 7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-8-[(3-hydroxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCCNc1nc2c(n1CC(COc1ccc(cc1)[N+](=O)[O-])O)c(=O)[nH]c(=O)n2C

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Molecular Weight: 434.41
Empirical Formula: C18H22N6O7

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 0.31
Rotatable bonds: 9
H-donors: 4
H-acceptors: 7
PSA: 174
Number of rings: 3

     

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