COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL325965
Chemical Name: 7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-8-{(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(N/N=C(/c2ccc(cc2)[N+](=O)[O-])\C)nc2c1c(=O)[nH]c(=O)n2C)COC(C)C

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Molecular Weight: 459.46
Empirical Formula: C20H25N7O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.86
Rotatable bonds: 7
H-donors: 3
H-acceptors: 6
PSA: 166
Number of rings: 3

     

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