COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044449
Chemical Name: 4-[(1E)-1-{2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-9-ium-7-yl)acetyl]hydrazinylidene}ethyl]-2-methoxyphenolate
Smiles: COc1cc(ccc1[O-])/C(=N/NC(=O)Cn1c[nH+]c2c1c(=O)n(C)c(=O)n2C)/C

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Molecular Weight: 400.39
Empirical Formula: C18H20N6O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.61
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 133
Number of rings: 3

     

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