COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037995
Chemical Name: (8E)-3-methyl-8-[(2E)-(3-nitrobenzylidene)hydrazinylidene]-7-pentyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: CCCCCn1/c(=N/N=C/c2cccc(c2)[N+](=O)[O-])/[nH]c2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 399.41
Empirical Formula: C18H21N7O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.616
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 135
Number of rings: 3

     

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