COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559808
Chemical Name: 4-[(E)-{2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-9-ium-7-yl)acetyl]hydrazinylidene}methyl]benzoate
Smiles: O=C(Cn1c[nH+]c2c1c(=O)n(C)c(=O)n2C)N/N=C/c1ccc(cc1)C(=O)[O-]

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Molecular Weight: 384.35
Empirical Formula: C17H16N6O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.877
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 141
Number of rings: 3

     

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