COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562607
Chemical Name: 2,4-dibromo-6-[(E)-{2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-9-ium-7-yl)acetyl]hydrazinylidene}methyl]phenolate
Smiles: Brc1cc(/C=N/NC(=O)Cn2c[nH+]c3c2c(=O)n(C)c(=O)n3C)c(c(c1)Br)[O-]

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Molecular Weight: 514.13
Empirical Formula: C16H14Br2N6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.198
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 124
Number of rings: 3

     

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