COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK647015
Chemical Name: 6-hydroxy-3-methyl-7-(2-methylprop-2-en-1-yl)-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-2H-purin-2-one
Smiles: CC(=C)Cn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])nc2c1c(O)nc(=O)n2C

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Molecular Weight: 383.37
Empirical Formula: C17H17N7O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.449
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 140
Number of rings: 3

     

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