COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL321273
Chemical Name: 7-(2,3-dihydroxypropyl)-3-methyl-8-[(2E)-2-(4-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(Cn1c(N/N=C/c2ccc(cc2)[N+](=O)[O-])nc2c1c(=O)[nH]c(=O)n2C)O

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Molecular Weight: 403.35
Empirical Formula: C16H17N7O6

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 0.181
Rotatable bonds: 6
H-donors: 4
H-acceptors: 6
PSA: 177
Number of rings: 3

     

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