COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL325396
Chemical Name: 1-[3-methyl-2,6-dioxo-8-(piperidin-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]-3-(4-nitrophenoxy)propan-2-ylacetate
Smiles: CC(=O)OC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCC1)COc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 486.48
Empirical Formula: C22H26N6O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.903
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 151
Number of rings: 4

     

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