COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051839
Chemical Name: (8E)-8-[(2Z)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)hydrazinylidene]-7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: OCC(Cn1/c(=N/N=C\2/C(=NC(=NC2=O)O)O)/[nH]c2c1c(=O)n(c(=O)n2C)C)O

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Molecular Weight: 408.33
Empirical Formula: C14H16N8O7

Physical State: Dry powder
Available Amount: 317 mg

Lipinsky:
logP: -3.727
Rotatable bonds: 7
H-donors: 5
H-acceptors: 7
PSA: 203
Number of rings: 3

     

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