COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL434389
Chemical Name: methyl4-[5-nitro-6-oxo-1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1C([N+](=O)[O-])C(=O)Nc2c1cnn2C(C)C

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Molecular Weight: 358.35
Empirical Formula: C17H18N4O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.014
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 119
Number of rings: 3

     

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