COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK701175
Chemical Name: 1,3,7-trimethyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: [O-][N+](=O)c1cccc(c1)/C=N/Nc1nc2c(n1C)c(=O)n(c(=O)n2C)C

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Molecular Weight: 357.33
Empirical Formula: C15H15N7O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.129
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 128
Number of rings: 3

     

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