COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK536929
Chemical Name: 1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=C)Cn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 397.39
Empirical Formula: C18H19N7O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.509
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 128
Number of rings: 3

     

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