COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045456
Chemical Name: 4-bromo-2-[(E)-{2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-9-ium-7-yl)acetyl]hydrazinylidene}methyl]phenolate
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)Cn1c[nH+]c2c1c(=O)n(C)c(=O)n2C)[O-]

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Molecular Weight: 435.24
Empirical Formula: C16H15BrN6O4

Physical State: Dry powder
Available Amount: 285 mg

Lipinsky:
logP: 3.056
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 124
Number of rings: 3

     

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