COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL326957
Chemical Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1C

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Molecular Weight: 493.48
Empirical Formula: C23H23N7O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.285
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 166
Number of rings: 4

     

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