COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK528168
Chemical Name: 3-methyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-7-octyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 441.49
Empirical Formula: C21H27N7O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.139
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 137
Number of rings: 3

     

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