COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL434425
Chemical Name: methyl4-[5-nitro-3,6-dioxo-1-(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1C([N+](=O)[O-])C(=O)Nc2c1c(=O)[nH]n2C(C)C

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Molecular Weight: 374.35
Empirical Formula: C17H18N4O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.793
Rotatable bonds: 2
H-donors: 2
H-acceptors: 6
PSA: 133
Number of rings: 3

     

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