COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK805650
Chemical Name: 3-methyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: [O-][N+](=O)c1cccc(c1)/C=N/Nc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C

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Molecular Weight: 447.45
Empirical Formula: C22H21N7O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.043
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 137
Number of rings: 4

     

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